 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Boat_STD_M11-def2SVPDr.in
 Output=18_methylcyclopentanone_Boat_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/18_methylcyclopentanone_Boat_STD/Gau-40451.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/18_methylcyclopentanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     40452.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=18_methylcyclopentanone_Boat_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 14:24:13 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.633721000000      1.221277000000     -0.338752000000
  C                                                 1.202323000000     -0.162379000000     -0.033480000000
  C                                                 0.137211000000     -0.968205000000      0.702463000000
  C                                                -1.174040000000     -0.198817000000      0.488459000000
  C                                                -0.703929000000      1.273985000000      0.406927000000
  O                                                 2.304239000000     -0.549644000000     -0.325314000000
  H                                                 0.503664000000      1.289578000000     -1.422345000000
  H                                                 1.346883000000      1.995992000000     -0.058182000000
  H                                                 0.420796000000     -0.975077000000      1.760549000000
  H                                                 0.126808000000     -2.003965000000      0.363566000000
  H                                                -1.851041000000     -0.333959000000      1.333578000000
  C                                                -1.889774000000     -0.644315000000     -0.786475000000
  H                                                -0.549986000000      1.664030000000      1.415809000000
  H                                                -1.441119000000      1.913307000000     -0.079228000000
  H                                                -1.248924000000     -0.537622000000     -1.665524000000
  H                                                -2.789893000000     -0.050884000000     -0.957715000000
  H                                                -2.184175000000     -1.693520000000     -0.722841000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1          12           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 23 14:24:14 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526762   0.000000
     3  C    2.474769   1.524936   0.000000
     4  C    2.443142   2.433280   1.535296   0.000000
     5  C    1.532359   2.427117   2.412939   1.548159   0.000000
     6  O    2.434537   1.203894   2.434652   3.589391   3.593171
     7  H    1.093505   2.127263   3.121967   2.946385   2.191976
     8  H    1.089726   2.163348   3.290646   3.386895   2.223387
     9  H    3.045714   2.118915   1.095451   2.182726   2.855797
    10  H    3.339521   2.169290   1.089843   2.228534   3.381858
    11  H    3.374832   3.349824   2.180303   1.091247   2.181750
    12  C    3.170003   3.218746   2.535845   1.528463   2.551531
    13  H    2.162331   2.916641   2.812430   2.172469   1.092555
    14  H    2.202548   3.361302   3.377170   2.203331   1.090196
    15  H    2.898000   2.968668   2.777433   2.181751   2.806064
    16  H    3.704408   4.099321   3.487923   2.173542   2.822901
    17  H    4.072359   3.779944   2.818937   2.172961   3.503368
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.797907   0.000000
     8  H    2.732792   1.752421   0.000000
     9  H    2.842389   3.907217   3.604535   0.000000
    10  H    2.707547   3.765491   4.203107   1.759716   0.000000
    11  H    4.479374   3.971853   4.194328   2.398871   2.764368
    12  C    4.220353   3.142104   4.239998   3.454775   2.690324
    13  H    4.009796   3.050494   2.425069   2.833046   3.875494
    14  H    4.489364   2.444419   2.789307   3.897983   4.242580
    15  H    3.797535   2.543494   3.967488   3.836314   2.856573
    16  H    5.157410   3.586117   4.702316   4.307159   3.750660
    17  H    4.648907   4.075863   5.150014   3.670049   2.572411
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.142999   0.000000
    13  H    2.385679   3.460281   0.000000
    14  H    2.685938   2.691267   1.758236   0.000000
    15  H    3.065720   1.093069   3.851026   2.925804   0.000000
    16  H    2.492308   1.091649   3.686696   2.539484   1.764226
    17  H    2.487618   1.091583   4.303201   3.738391   1.760524
                   16         17
    16  H    0.000000
    17  H    1.766441   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.53D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4282585           2.2049386           1.8432612
 Leave Link  202 at Fri Jul 23 14:24:14 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     13     14     15     16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   237 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   327 primitive gaussians,   237 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       309.8033475478 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 14:24:15 2021, MaxMem= 10737418240 cpu:              15.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  6.52D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   237   237   237   237   237 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Fri Jul 23 14:24:16 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 14:24:16 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 14:24:17 2021, MaxMem= 10737418240 cpu:               4.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737299669 LenY= 10737243059
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.466615805852    
 DIIS: error= 4.67D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.466615805852     IErMin= 1 ErrMin= 4.67D-03
 ErrMax= 4.67D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-02 BMatP= 1.11D-02
 IDIUse=3 WtCom= 9.53D-01 WtEn= 4.67D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.413 Goal=   None    Shift=    0.000
 GapD=    0.413 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.38D-03 MaxDP=8.51D-02              OVMax= 1.86D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.38D-03    CP:  1.00D+00
 E= -309.478261358451     Delta-E=       -0.011645552600 Rises=F Damp=F
 DIIS: error= 2.14D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.478261358451     IErMin= 2 ErrMin= 2.14D-03
 ErrMax= 2.14D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-04 BMatP= 1.11D-02
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.14D-02
 Coeff-Com: -0.570D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.558D-03 0.100D+01
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=9.25D-04 MaxDP=3.62D-02 DE=-1.16D-02 OVMax= 1.08D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.73D-04    CP:  1.00D+00  1.14D+00
 E= -309.478531672887     Delta-E=       -0.000270314435 Rises=F Damp=F
 DIIS: error= 1.75D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -309.478531672887     IErMin= 3 ErrMin= 1.75D-03
 ErrMax= 1.75D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-04 BMatP= 6.25D-04
 IDIUse=3 WtCom= 1.93D-01 WtEn= 8.07D-01
 Coeff-Com: -0.666D-01 0.545D+00 0.522D+00
 Coeff-En:   0.000D+00 0.317D+00 0.683D+00
 Coeff:     -0.128D-01 0.361D+00 0.652D+00
 Gap=     0.400 Goal=   None    Shift=    0.000
 RMSDP=2.03D-04 MaxDP=8.41D-03 DE=-2.70D-04 OVMax= 6.54D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.60D-04    CP:  1.00D+00  1.16D+00  8.69D-01
 E= -309.478890553907     Delta-E=       -0.000358881020 Rises=F Damp=F
 DIIS: error= 9.96D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.478890553907     IErMin= 4 ErrMin= 9.96D-04
 ErrMax= 9.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-04 BMatP= 6.25D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.96D-03
 Coeff-Com: -0.176D-01 0.109D-01 0.353D+00 0.653D+00
 Coeff-En:   0.000D+00 0.000D+00 0.205D+00 0.795D+00
 Coeff:     -0.175D-01 0.108D-01 0.352D+00 0.655D+00
 Gap=     0.401 Goal=   None    Shift=    0.000
 RMSDP=1.08D-04 MaxDP=3.95D-03 DE=-3.59D-04 OVMax= 2.32D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.41D-05    CP:  1.00D+00  1.17D+00  9.93D-01  8.24D-01
 E= -309.479021962977     Delta-E=       -0.000131409070 Rises=F Damp=F
 DIIS: error= 6.14D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.479021962977     IErMin= 5 ErrMin= 6.14D-05
 ErrMax= 6.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-06 BMatP= 1.84D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.222D-02-0.541D-01 0.426D-01 0.192D+00 0.817D+00
 Coeff:      0.222D-02-0.541D-01 0.426D-01 0.192D+00 0.817D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=2.20D-05 MaxDP=6.25D-04 DE=-1.31D-04 OVMax= 3.14D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.62D-05    CP:  1.00D+00  1.17D+00  1.01D+00  8.53D-01  1.05D+00
 E= -309.479023725650     Delta-E=       -0.000001762672 Rises=F Damp=F
 DIIS: error= 8.22D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.479023725650     IErMin= 6 ErrMin= 8.22D-06
 ErrMax= 8.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-08 BMatP= 1.51D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-02-0.833D-02-0.103D-01-0.193D-02 0.120D+00 0.899D+00
 Coeff:      0.104D-02-0.833D-02-0.103D-01-0.193D-02 0.120D+00 0.899D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=5.34D-06 MaxDP=1.34D-04 DE=-1.76D-06 OVMax= 6.18D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.44D-06    CP:  1.00D+00  1.17D+00  1.02D+00  8.54D-01  1.10D+00
                    CP:  1.03D+00
 E= -309.479023783791     Delta-E=       -0.000000058141 Rises=F Damp=F
 DIIS: error= 1.77D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.479023783791     IErMin= 7 ErrMin= 1.77D-06
 ErrMax= 1.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-09 BMatP= 3.62D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.309D-04 0.239D-02-0.320D-02-0.112D-01-0.375D-01 0.693D-01
 Coeff-Com:  0.980D+00
 Coeff:     -0.309D-04 0.239D-02-0.320D-02-0.112D-01-0.375D-01 0.693D-01
 Coeff:      0.980D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=1.38D-06 MaxDP=3.12D-05 DE=-5.81D-08 OVMax= 2.23D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.84D-07    CP:  1.00D+00  1.17D+00  1.02D+00  8.53D-01  1.11D+00
                    CP:  1.09D+00  1.08D+00
 E= -309.479023788232     Delta-E=       -0.000000004441 Rises=F Damp=F
 DIIS: error= 6.70D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.479023788232     IErMin= 8 ErrMin= 6.70D-07
 ErrMax= 6.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-10 BMatP= 2.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.787D-04 0.119D-02-0.156D-03-0.312D-02-0.185D-01-0.462D-01
 Coeff-Com:  0.248D+00 0.819D+00
 Coeff:     -0.787D-04 0.119D-02-0.156D-03-0.312D-02-0.185D-01-0.462D-01
 Coeff:      0.248D+00 0.819D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=3.93D-07 MaxDP=7.60D-06 DE=-4.44D-09 OVMax= 9.29D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.55D-07    CP:  1.00D+00  1.17D+00  1.02D+00  8.52D-01  1.11D+00
                    CP:  1.10D+00  1.13D+00  1.07D+00
 E= -309.479023788687     Delta-E=       -0.000000000455 Rises=F Damp=F
 DIIS: error= 1.78D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.479023788687     IErMin= 9 ErrMin= 1.78D-07
 ErrMax= 1.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-11 BMatP= 3.11D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.181D-04 0.940D-04 0.271D-03 0.202D-03-0.935D-03-0.146D-01
 Coeff-Com: -0.331D-01 0.173D+00 0.875D+00
 Coeff:     -0.181D-04 0.940D-04 0.271D-03 0.202D-03-0.935D-03-0.146D-01
 Coeff:     -0.331D-01 0.173D+00 0.875D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=4.00D-06 DE=-4.55D-10 OVMax= 3.64D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.75D-08    CP:  1.00D+00  1.17D+00  1.02D+00  8.52D-01  1.11D+00
                    CP:  1.10D+00  1.14D+00  1.13D+00  1.15D+00
 E= -309.479023788745     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 7.22D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -309.479023788745     IErMin=10 ErrMin= 7.22D-08
 ErrMax= 7.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-12 BMatP= 2.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.428D-05-0.890D-04 0.437D-04 0.269D-03 0.144D-02 0.254D-02
 Coeff-Com: -0.258D-01-0.505D-01 0.107D+00 0.965D+00
 Coeff:      0.428D-05-0.890D-04 0.437D-04 0.269D-03 0.144D-02 0.254D-02
 Coeff:     -0.258D-01-0.505D-01 0.107D+00 0.965D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=3.91D-08 MaxDP=1.59D-06 DE=-5.74D-11 OVMax= 2.44D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.53D-08    CP:  1.00D+00  1.17D+00  1.02D+00  8.52D-01  1.11D+00
                    CP:  1.10D+00  1.14D+00  1.15D+00  1.23D+00  1.15D+00
 E= -309.479023788758     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 4.32D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -309.479023788758     IErMin=11 ErrMin= 4.32D-08
 ErrMax= 4.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.37D-13 BMatP= 2.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-05-0.819D-05-0.351D-04-0.333D-04 0.679D-04 0.178D-02
 Coeff-Com:  0.500D-02-0.205D-01-0.117D+00-0.139D-01 0.114D+01
 Coeff:      0.202D-05-0.819D-05-0.351D-04-0.333D-04 0.679D-04 0.178D-02
 Coeff:      0.500D-02-0.205D-01-0.117D+00-0.139D-01 0.114D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=1.81D-08 MaxDP=4.46D-07 DE=-1.35D-11 OVMax= 1.71D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.10D-08    CP:  1.00D+00  1.17D+00  1.02D+00  8.52D-01  1.11D+00
                    CP:  1.10D+00  1.14D+00  1.15D+00  1.25D+00  1.29D+00
                    CP:  1.30D+00
 E= -309.479023788753     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 2.08D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -309.479023788758     IErMin=12 ErrMin= 2.08D-08
 ErrMax= 2.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.62D-14 BMatP= 4.37D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-05 0.211D-04-0.102D-04-0.628D-04-0.339D-03-0.598D-03
 Coeff-Com:  0.637D-02 0.114D-01-0.304D-01-0.224D+00 0.126D-01 0.122D+01
 Coeff:     -0.104D-05 0.211D-04-0.102D-04-0.628D-04-0.339D-03-0.598D-03
 Coeff:      0.637D-02 0.114D-01-0.304D-01-0.224D+00 0.126D-01 0.122D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=1.10D-08 MaxDP=2.95D-07 DE= 4.66D-12 OVMax= 1.11D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.31D-09    CP:  1.00D+00  1.17D+00  1.02D+00  8.52D-01  1.11D+00
                    CP:  1.10D+00  1.14D+00  1.15D+00  1.25D+00  1.33D+00
                    CP:  1.55D+00  1.59D+00
 E= -309.479023788752     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 5.80D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -309.479023788758     IErMin=13 ErrMin= 5.80D-09
 ErrMax= 5.80D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-14 BMatP= 9.62D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.508D-06 0.600D-05 0.301D-05-0.995D-05-0.893D-04-0.440D-03
 Coeff-Com:  0.655D-03 0.602D-02 0.127D-01-0.513D-01-0.184D+00 0.314D+00
 Coeff-Com:  0.902D+00
 Coeff:     -0.508D-06 0.600D-05 0.301D-05-0.995D-05-0.893D-04-0.440D-03
 Coeff:      0.655D-03 0.602D-02 0.127D-01-0.513D-01-0.184D+00 0.314D+00
 Coeff:      0.902D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=3.18D-09 MaxDP=7.16D-08 DE= 1.48D-12 OVMax= 3.02D-07

 SCF Done:  E(RM11) =  -309.479023789     A.U. after   13 cycles
            NFock= 13  Conv=0.32D-08     -V/T= 2.0122
 KE= 3.057613687982D+02 PE=-1.337423333182D+03 EE= 4.123795930476D+02
 Leave Link  502 at Fri Jul 23 14:25:10 2021, MaxMem= 10737418240 cpu:             838.2 elap:              52.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    223 NOA=    27 NOB=    27 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.25674276D+02

 Leave Link  801 at Fri Jul 23 14:25:10 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5137 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.82D-14 8.33D-09 XBig12= 1.00D+00 2.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.82D-14 8.33D-09 XBig12= 1.29D-01 1.17D-01.
     11 vectors produced by pass  2 Test12= 8.82D-14 8.33D-09 XBig12= 1.68D-02 2.75D-02.
     11 vectors produced by pass  3 Test12= 8.82D-14 8.33D-09 XBig12= 1.14D-03 7.65D-03.
     11 vectors produced by pass  4 Test12= 8.82D-14 8.33D-09 XBig12= 4.15D-05 1.15D-03.
     11 vectors produced by pass  5 Test12= 8.82D-14 8.33D-09 XBig12= 1.15D-06 1.88D-04.
     11 vectors produced by pass  6 Test12= 8.82D-14 8.33D-09 XBig12= 2.33D-08 2.96D-05.
     11 vectors produced by pass  7 Test12= 8.82D-14 8.33D-09 XBig12= 4.26D-10 3.96D-06.
     11 vectors produced by pass  8 Test12= 8.82D-14 8.33D-09 XBig12= 9.31D-12 5.63D-07.
      9 vectors produced by pass  9 Test12= 8.82D-14 8.33D-09 XBig12= 1.52D-13 6.54D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.807178D+02
      2 -0.102300D+01  0.733007D+02
      3 -0.150980D+01 -0.128042D+01  0.653264D+02
 Isotropic polarizability for W=    0.093368       73.11 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.200753D+02 -0.165035D+02 -0.243660D+02
      2   0.104933D+02  0.143904D+02  0.896952D+01
      3   0.958203D+01  0.211313D+01  0.153965D+02
      4  -0.840126D+01 -0.294082D+02 -0.699522D+01
      5  -0.209567D+02 -0.506276D+01 -0.380296D+02
      6   0.463589D+00  0.202355D+01  0.597935D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.288096D+01  0.192632D+00 -0.215241D+01
      2  -0.869781D+01 -0.248439D+01 -0.181178D+02
      3   0.570274D+01  0.149064D+02  0.216247D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.193246D+01 -0.694597D+01 -0.386622D+01
      2  -0.340930D+01 -0.745881D+01 -0.476116D+02
      3   0.810228D+01  0.399014D+02  0.552635D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.322156D+00  0.831886D+00 -0.358076D+00
      2   0.831886D+00  0.657013D+00 -0.160926D+00
      3  -0.358076D+00 -0.160926D+00  0.157987D+01
 OR G Eigenvalues:    -0.3753     1.0944     1.8399  Iso=    -0.8530
 Eigenvectors:
   (1)   0.782291  -0.615996   0.092571
   (2)   0.466320   0.677659   0.568616
   (3)  -0.412997  -0.401655   0.817378
 w=    0.093368 a.u., Optical Rotation Beta=     -0.8530 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =     -489.89 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.32D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.66D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.47D-14 2.78D-09 XBig12= 1.00D+00 3.40D-01.
     30 vectors produced by pass  1 Test12= 1.47D-14 2.78D-09 XBig12= 4.52D-02 3.73D-02.
     30 vectors produced by pass  2 Test12= 1.47D-14 2.78D-09 XBig12= 1.81D-03 5.27D-03.
     30 vectors produced by pass  3 Test12= 1.47D-14 2.78D-09 XBig12= 2.35D-05 6.20D-04.
     30 vectors produced by pass  4 Test12= 1.47D-14 2.78D-09 XBig12= 2.67D-07 6.15D-05.
     30 vectors produced by pass  5 Test12= 1.47D-14 2.78D-09 XBig12= 2.62D-09 6.07D-06.
     30 vectors produced by pass  6 Test12= 1.47D-14 2.78D-09 XBig12= 2.32D-11 5.21D-07.
     30 vectors produced by pass  7 Test12= 1.47D-14 2.78D-09 XBig12= 1.64D-13 4.33D-08.
      2 vectors produced by pass  8 Test12= 1.47D-14 2.78D-09 XBig12= 1.19D-15 3.37D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 8.85D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 8.85D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.33D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.807178D+02 -0.102300D+01 -0.150980D+01
      2  -0.102300D+01  0.733007D+02 -0.128042D+01
      3  -0.150980D+01 -0.128042D+01  0.653264D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.288096D+01  0.192632D+00 -0.215241D+01
      2  -0.869781D+01 -0.248439D+01 -0.181178D+02
      3   0.570274D+01  0.149064D+02  0.216247D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.200753D+02 -0.165035D+02 -0.243660D+02
      2   0.104933D+02  0.143904D+02  0.896952D+01
      3   0.958203D+01  0.211313D+01  0.153965D+02
      4  -0.840126D+01 -0.294082D+02 -0.699522D+01
      5  -0.209567D+02 -0.506276D+01 -0.380296D+02
      6   0.463589D+00  0.202355D+01  0.597935D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.689263D-01 -0.199450D+01 -0.144469D+01 -0.187980D+01 -0.359882D+01
      2  -0.199450D+01 -0.511612D+01  0.282706D+00 -0.359882D+01 -0.250846D+00
      3  -0.144469D+01  0.282706D+00  0.501255D+00  0.311193D-01 -0.105234D+01
                 6             7             8             9            10 
      1   0.311193D-01 -0.125600D+01 -0.117143D+01  0.963444D+00 -0.569439D+01
      2  -0.105234D+01 -0.117143D+01 -0.201025D+00 -0.101548D+01  0.350266D+01
      3  -0.371951D+00  0.963444D+00 -0.101548D+01  0.528961D+01  0.101433D+01
                11            12            13            14            15 
      1   0.350266D+01  0.101433D+01  0.283386D+01  0.538772D+00 -0.660242D+00
      2   0.309210D+01 -0.190235D+01  0.538772D+00 -0.233274D+01  0.395139D+00
      3  -0.190235D+01  0.356914D+00 -0.660242D+00  0.395139D+00  0.383414D+00
                16            17            18            19            20 
      1   0.135449D+01 -0.775903D+00 -0.397495D+00  0.983121D+00 -0.280052D+01
      2  -0.775903D+00 -0.694217D+00  0.669559D+00 -0.280052D+01 -0.100145D+01
      3  -0.397495D+00  0.669559D+00  0.771690D-01  0.128981D+01  0.967492D+00
                21            22            23            24            25 
      1   0.128981D+01 -0.185229D+01  0.105670D+00  0.261648D+00 -0.557769D+00
      2   0.967492D+00  0.105670D+00  0.623890D+01  0.136436D+01  0.392068D+00
      3  -0.266385D+01  0.261648D+00  0.136436D+01 -0.194906D+00 -0.165060D+01
                26            27            28            29            30 
      1   0.392068D+00 -0.165060D+01 -0.113575D+01  0.230368D+01 -0.230575D+01
      2   0.225452D+01  0.396175D+00  0.230368D+01 -0.278090D+01  0.832592D+00
      3   0.396175D+00 -0.559604D+01 -0.230575D+01  0.832592D+00  0.413044D+01
                31            32            33            34            35 
      1   0.198310D+01 -0.232290D+01  0.774170D+00 -0.209097D+01  0.599145D+00
      2  -0.232290D+01 -0.488019D+01 -0.758409D+00  0.599145D+00  0.309772D+00
      3   0.774170D+00 -0.758409D+00  0.179523D+01  0.472689D+01  0.188910D+01
                36            37            38            39            40 
      1   0.472689D+01  0.283407D+00 -0.158179D+01  0.249679D+01 -0.775519D+00
      2   0.188910D+01 -0.158179D+01  0.346870D+01 -0.107418D+01  0.357391D+01
      3  -0.563574D+00  0.249679D+01 -0.107418D+01 -0.125350D+01 -0.127281D+01
                41            42            43            44            45 
      1   0.357391D+01 -0.127281D+01  0.268127D+01 -0.180374D+01 -0.947835D+00
      2   0.216623D+01  0.143102D+00 -0.180374D+01 -0.160905D+00 -0.330702D+01
      3   0.143102D+00 -0.239754D+01 -0.947835D+00 -0.330702D+01 -0.487693D+01
                46            47            48            49            50 
      1   0.149430D+02 -0.344663D+01 -0.200291D+01 -0.301969D+01  0.381742D+01
      2  -0.344663D+01  0.147695D+01  0.904615D+00  0.381742D+01 -0.239327D+01
      3  -0.200291D+01  0.904615D+00  0.171203D+01  0.617989D+00 -0.107140D+01
                51            52            53            54            55 
      1   0.617989D+00 -0.212018D+01  0.608480D+00  0.377588D+01 -0.633661D+00
      2  -0.107140D+01  0.608480D+00 -0.400964D+00 -0.145684D+01  0.537282D+00
      3  -0.776776D+00  0.377588D+01 -0.145684D+01 -0.197642D+01 -0.100773D+01
                56            57            58            59            60 
      1   0.537282D+00 -0.100773D+01  0.201531D+00  0.308024D+00  0.787941D-01
      2   0.514824D+00 -0.554798D-01  0.308024D+00  0.869224D+00 -0.112049D+01
      3  -0.554798D-01 -0.351261D+00  0.787941D-01 -0.112049D+01  0.654309D+00
                61            62            63            64            65 
      1  -0.156276D+01  0.292655D+00 -0.122588D+00  0.429310D+01  0.324148D+01
      2   0.292655D+00 -0.215119D+01  0.212738D+01  0.324148D+01  0.425952D+01
      3  -0.122588D+00  0.212738D+01 -0.815295D+01  0.370250D+00  0.496244D-01
                66            67            68            69            70 
      1   0.370250D+00  0.272498D+01  0.306216D+01  0.861037D-01  0.108303D+01
      2   0.496244D-01  0.306216D+01  0.607885D+01  0.526589D+00  0.808987D+00
      3   0.624704D+00  0.861037D-01  0.526589D+00  0.942635D+00  0.570438D+00
                71            72            73            74            75 
      1   0.808987D+00  0.570438D+00  0.920044D+00  0.773424D-01  0.147029D+01
      2   0.118772D+01  0.131021D+01  0.773424D-01  0.543490D+00 -0.718370D+00
      3   0.131021D+01 -0.591520D-02  0.147029D+01 -0.718370D+00  0.206828D+01
                76            77            78            79            80 
      1   0.469534D+00  0.180181D+00 -0.161333D+00  0.221660D+01 -0.300788D+00
      2   0.180181D+00 -0.104463D+01  0.121413D+01 -0.300788D+00  0.138873D+01
      3  -0.161333D+00  0.121413D+01 -0.353041D+00  0.145414D+01 -0.175036D+01
                81            82            83            84            85 
      1   0.145414D+01 -0.105680D+00 -0.107163D+01 -0.446368D+00 -0.157282D+01
      2  -0.175036D+01 -0.107163D+01  0.349784D+00 -0.163891D+00 -0.304342D-01
      3   0.933940D+01 -0.446368D+00 -0.163891D+00  0.252962D+00 -0.881278D-01
                86            87            88            89            90 
      1  -0.304342D-01 -0.881278D-01 -0.584683D+00  0.919268D-01  0.844945D-01
      2  -0.936505D+01 -0.380533D+00  0.919268D-01 -0.222840D+01 -0.136058D+01
      3  -0.380533D+00 -0.122940D+01  0.844945D-01 -0.136058D+01  0.160510D+00
                91            92            93            94            95 
      1  -0.499103D+01 -0.100484D+01  0.298933D+01 -0.736849D+00 -0.849823D+00
      2  -0.100484D+01 -0.685280D+00  0.204360D+00 -0.849823D+00 -0.849975D-01
      3   0.298933D+01  0.204360D+00 -0.340059D+01  0.182150D+00  0.117821D+01
                96            97            98            99           100 
      1   0.182150D+00  0.322820D+01  0.395682D+00 -0.361229D+01  0.348880D+01
      2   0.117821D+01  0.395682D+00  0.101323D+01 -0.851042D+00 -0.249172D+01
      3  -0.817289D+00 -0.361229D+01 -0.851042D+00  0.543466D+01  0.188946D+01
               101           102           103           104           105 
      1  -0.249172D+01  0.188946D+01 -0.310282D+01  0.401718D+01 -0.116537D+01
      2   0.296167D+01 -0.103919D+01  0.401718D+01  0.584824D+01  0.588038D+00
      3  -0.103919D+01 -0.341350D+01 -0.116537D+01  0.588038D+00 -0.148895D+01
               106           107           108           109           110 
      1   0.149310D+01 -0.114558D+01 -0.396602D+01  0.513893D+00  0.845344D+00
      2  -0.114558D+01 -0.523892D+00 -0.147653D+01  0.845344D+00  0.576731D-01
      3  -0.396602D+01 -0.147653D+01  0.121258D+01  0.890151D+00  0.380577D+00
               111           112           113           114           115 
      1   0.890151D+00  0.647793D+00 -0.269036D+00  0.815544D-01  0.110086D+01
      2   0.380577D+00 -0.269036D+00  0.230481D+01  0.228958D+01  0.388048D+00
      3   0.755339D+00  0.815544D-01  0.228958D+01  0.233716D+01  0.375891D-01
               116           117           118           119           120 
      1   0.388048D+00  0.375891D-01 -0.464133D+01  0.297244D+01 -0.123074D+01
      2   0.297894D+01  0.357628D+01  0.297244D+01 -0.349357D+01  0.666485D+00
      3   0.357628D+01  0.756412D+01 -0.123074D+01  0.666485D+00 -0.899488D+00
               121           122           123           124           125 
      1   0.237254D+01 -0.290065D+01  0.576360D+00 -0.182826D+01  0.111832D+01
      2  -0.290065D+01  0.442281D+01 -0.895523D+00  0.111832D+01 -0.176477D+01
      3   0.576360D+00 -0.895523D+00  0.117903D+01 -0.107213D+01  0.163735D+01
               126           127           128           129           130 
      1  -0.107213D+01  0.201580D+01  0.502041D+00 -0.143191D+01  0.544320D+00
      2   0.163735D+01  0.502041D+00  0.497630D+00  0.294281D+00  0.170813D-01
      3  -0.699432D+00 -0.143191D+01  0.294281D+00  0.285584D+01  0.824101D-01
               131           132           133           134           135 
      1   0.170813D-01  0.824101D-01 -0.186734D+01 -0.766053D-01  0.140817D+01
      2  -0.492913D+00 -0.917335D+00 -0.766053D-01 -0.988359D+00 -0.103720D+00
      3  -0.917335D+00  0.424586D+00  0.140817D+01 -0.103720D+00 -0.602525D+01
               136           137           138           139           140 
      1  -0.804136D+01  0.209523D+01 -0.209708D+01  0.359943D+01 -0.229573D+01
      2   0.209523D+01 -0.202105D+01  0.456619D+00 -0.229573D+01  0.145056D+01
      3  -0.209708D+01  0.456619D+00 -0.126606D+01  0.111380D+01 -0.564634D+00
               141           142           143           144           145 
      1   0.111380D+01 -0.136056D+01  0.540294D+00 -0.112741D+01 -0.226686D+01
      2  -0.564634D+00  0.540294D+00 -0.151115D+00  0.696780D+00 -0.168586D+01
      3   0.127148D+01 -0.112741D+01  0.696780D+00 -0.101313D+01 -0.443236D+00
               146           147           148           149           150 
      1  -0.168586D+01 -0.443236D+00 -0.243731D+01 -0.335300D+01 -0.538210D+00
      2  -0.212398D+01 -0.858870D-01 -0.335300D+01 -0.853498D+01 -0.938481D+00
      3  -0.858870D-01 -0.951648D-02 -0.538210D+00 -0.938481D+00 -0.135799D+01
               151           152           153 
      1   0.709530D-01  0.384376D-01 -0.124666D+00
      2   0.384376D-01  0.131908D+00 -0.981263D+00
      3  -0.124666D+00 -0.981263D+00 -0.168413D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.507563D+01  0.419709D+01 -0.107444D+01  0.160609D+01  0.219608D+01
      2  -0.130599D+01 -0.152433D+01  0.144436D+01 -0.160785D+01 -0.319100D+01
      3   0.386743D+01  0.651107D-01 -0.458280D+01  0.644951D+01 -0.489720D+01
                 6             7             8             9            10 
      1  -0.505303D+01 -0.538954D+01  0.523420D+01 -0.732054D+01 -0.323509D+01
      2  -0.912469D+00 -0.274286D+01 -0.259572D+01  0.768522D+01 -0.386601D+01
      3   0.199967D+00 -0.320621D+01 -0.291228D+01  0.404563D+01  0.202363D+01
                11            12            13            14            15 
      1   0.936434D+01 -0.340826D+01  0.678161D+01  0.657041D+01  0.139354D+01
      2  -0.798584D+01 -0.513053D+01 -0.403309D+01 -0.503427D+00  0.171044D+01
      3  -0.409023D+01  0.453722D+01  0.168070D+01 -0.198478D+01 -0.255767D+01
                16            17            18            19            20 
      1   0.297770D+01  0.197410D+02 -0.862286D+01 -0.930729D-01 -0.704226D+00
      2  -0.119028D+02 -0.280309D+01  0.730073D+01 -0.365701D+01  0.449138D+01
      3   0.177763D+01 -0.566917D+01  0.705991D+00 -0.410506D+00  0.302914D+01
                21            22            23            24            25 
      1  -0.580223D+01  0.857291D+00  0.876507D+01 -0.320799D+01 -0.239382D+00
      2   0.173784D+01  0.388874D+01 -0.354424D+00  0.256248D+01 -0.532332D+01
      3  -0.224353D+01  0.845884D+01 -0.515734D+01  0.914657D+00 -0.193768D+01
                26            27            28            29            30 
      1   0.489887D+01 -0.764030D+01  0.127215D+01 -0.201458D+01  0.778538D+00
      2   0.138438D+01 -0.213502D+01  0.790190D+01 -0.199875D+01 -0.106646D+01
      3   0.610573D+00  0.158006D+01  0.480472D+01 -0.936661D+01  0.176080D+01
                31            32            33            34            35 
      1  -0.254546D+01 -0.329778D+01 -0.336809D+01 -0.505518D+00  0.476094D+01
      2  -0.356995D+01  0.129427D+01 -0.242460D+01 -0.891211D+01 -0.396691D+01
      3  -0.263866D+01 -0.686096D+01 -0.998426D-01  0.117844D+01 -0.403893D-01
                36            37            38            39            40 
      1   0.560030D+00 -0.416440D+01  0.547250D+01  0.181027D+01  0.539026D+01
      2   0.735077D-01 -0.615458D+01  0.328699D+01  0.212809D+01  0.254972D+01
      3   0.123887D+01 -0.478116D+01 -0.207209D+01  0.333824D+01  0.532420D+01
                41            42            43            44            45 
      1   0.281753D+01  0.176008D+01  0.166291D+01  0.933833D+01  0.494585D+01
      2  -0.240985D+01  0.263837D+01 -0.440545D+01  0.461867D+01  0.404555D+01
      3   0.880426D+01 -0.170547D+01  0.347912D+01 -0.320724D+01 -0.370475D+01
                46            47            48            49            50 
      1   0.169130D+01 -0.567110D+01  0.421734D+01 -0.215462D+01 -0.321587D+00
      2  -0.882242D+00  0.201227D+01  0.125767D+02  0.116631D+01 -0.113945D+01
      3  -0.199315D+01 -0.116809D+02 -0.350499D+00 -0.155466D+01  0.629494D+01
                51            52            53            54            55 
      1  -0.295928D+01 -0.907766D+00 -0.437449D+01  0.203910D+01  0.254812D-01
      2  -0.363984D+01  0.403413D+01  0.512354D+00 -0.617037D+01 -0.165314D+01
      3   0.116686D+01  0.201754D+01  0.411882D+01  0.177405D+00 -0.162195D+01
                56            57            58            59            60 
      1   0.103711D+01  0.724759D+00  0.171057D+01 -0.209925D-01 -0.634929D+00
      2   0.286188D+00 -0.121174D+00 -0.228069D+00 -0.508055D+00  0.105720D+00
      3  -0.102006D+01 -0.884889D+00  0.361356D+00  0.955906D+00  0.448324D+00
                61            62            63            64            65 
      1   0.923331D+00 -0.275033D+01  0.149558D+02 -0.162882D+01 -0.570585D+01
      2  -0.343827D+01  0.289127D+01 -0.940743D+01  0.215708D+01  0.247881D+01
      3  -0.269101D+01  0.297780D+01 -0.225608D+01  0.439087D+01  0.175429D+00
                66            67            68            69            70 
      1  -0.153590D+01 -0.281157D+01 -0.433981D+01 -0.269022D+01 -0.141426D+01
      2   0.229172D+01  0.192734D+01  0.325833D+01  0.144554D+01  0.260671D+00
      3   0.671294D+00  0.439723D+01  0.432007D-01 -0.508293D+00  0.172039D+01
                71            72            73            74            75 
      1  -0.208458D+01 -0.621866D+00 -0.607724D+00 -0.116302D+01  0.467207D+01
      2   0.173190D+01  0.233530D+00  0.737806D+00  0.777365D-01 -0.932103D+00
      3  -0.108609D+00 -0.106151D+00 -0.346253D+00 -0.162603D+01 -0.175854D+01
                76            77            78            79            80 
      1  -0.146032D+01  0.286995D+00  0.541691D+00  0.135600D+01 -0.535353D+00
      2  -0.529533D+00 -0.627820D-02 -0.190090D-01 -0.395578D+01  0.609975D+00
      3   0.405648D+00 -0.172561D-01 -0.247668D-01 -0.260476D+01  0.361689D+00
                81            82            83            84            85 
      1   0.123581D+02  0.195919D+00  0.127271D+00 -0.457813D+00 -0.135525D+01
      2   0.470119D+00 -0.106753D+01  0.133053D+00  0.164417D+01  0.124075D+01
      3  -0.249021D+01  0.174671D+00 -0.582944D+00  0.916669D+00  0.524566D+01
                86            87            88            89            90 
      1  -0.116961D+02 -0.363628D+01 -0.550092D+00 -0.336615D+01 -0.156802D+01
      2   0.286145D+00 -0.620321D+00 -0.148997D+00  0.603841D-01 -0.438823D+00
      3   0.263671D+01  0.540211D-03  0.202952D+01  0.986732D+00  0.994672D-01
                91            92            93            94            95 
      1  -0.430982D+00 -0.154974D+01 -0.689044D+00 -0.560316D+00  0.717240D-01
      2   0.316494D+00  0.423747D+00  0.411710D+01  0.444997D+00 -0.104023D+01
      3   0.167620D+00 -0.243770D+01 -0.717594D+00  0.418276D+00  0.229645D-01
                96            97            98            99           100 
      1  -0.174877D+00  0.280306D+00  0.273359D+01 -0.116083D-01  0.470013D+01
      2   0.146387D+01  0.336356D+00  0.960016D+00 -0.558103D+01  0.107103D+00
      3   0.167054D+01 -0.862350D+00  0.271068D+01 -0.253896D+00 -0.918262D+01
               101           102           103           104           105 
      1  -0.461368D+01 -0.226213D+01 -0.682746D+01 -0.675897D+01 -0.498307D+01
      2   0.332059D+00  0.140292D+02  0.232914D+00  0.291695D+01  0.222793D+01
      3   0.692087D+01 -0.421754D+01  0.141810D+02  0.104329D+02  0.213626D+01
               106           107           108           109           110 
      1  -0.159824D+01  0.551091D+00  0.360853D+01 -0.357766D-01 -0.604067D+00
      2   0.796434D+01  0.205113D+01 -0.717044D+01 -0.986789D+00 -0.113884D+01
      3  -0.395140D+01  0.480273D+00 -0.425813D+00  0.188657D+01  0.341341D+00
               111           112           113           114           115 
      1  -0.837512D+00 -0.325516D+00 -0.134406D+01 -0.330623D+01  0.887539D-02
      2  -0.193402D+00 -0.132189D+01 -0.161687D+01 -0.197415D+01 -0.306451D+01
      3   0.158046D+01  0.200523D+01  0.800561D+00  0.216390D+01  0.282409D+01
               116           117           118           119           120 
      1  -0.714082D+00 -0.102133D+02  0.289628D+01 -0.208222D+01  0.252186D+01
      2  -0.293305D+01 -0.605800D+01  0.320633D+01 -0.223886D+01  0.309459D+01
      3   0.289066D+01  0.244222D+01 -0.577445D+01 -0.715835D+00 -0.138378D+01
               121           122           123           124           125 
      1  -0.226197D+01  0.291362D+01 -0.371750D+01  0.176537D+01 -0.172662D+01
      2  -0.148110D+01  0.232850D+01 -0.220450D+01  0.937112D+00 -0.235105D+01
      3   0.327953D+01 -0.109971D+00 -0.177196D-01 -0.300546D+01 -0.915047D+00
               126           127           128           129           130 
      1   0.240635D+01 -0.232849D+01 -0.167402D+01  0.251522D+01 -0.413161D+00
      2   0.188018D+01  0.727058D+01  0.571284D+00 -0.689344D+01  0.945182D+00
      3  -0.957899D-02 -0.935621D+00 -0.474256D+00  0.146441D+01  0.623288D+00
               131           132           133           134           135 
      1  -0.588981D+00  0.528627D+00  0.219528D+01  0.320533D+01 -0.490898D+01
      2   0.202502D+01 -0.856917D+00 -0.869846D+01 -0.434673D+00  0.139615D+02
      3  -0.768358D+00 -0.166305D+01  0.120532D+01 -0.126489D+01 -0.132178D+01
               136           137           138           139           140 
      1  -0.405834D+01  0.325301D+01 -0.697697D+00  0.283660D+01 -0.230146D+01
      2  -0.256043D+01  0.112886D+01  0.333755D+01  0.128303D+01 -0.731113D+00
      3   0.926893D+01 -0.862718D+01  0.238336D+01 -0.598012D+01  0.582534D+01
               141           142           143           144           145 
      1   0.180068D+00 -0.126625D+01  0.170766D+01 -0.132059D+01  0.725797D+00
      2  -0.290285D+01 -0.492952D+00 -0.115547D+01  0.174007D+01 -0.320696D+00
      3  -0.164751D+01  0.224532D+01 -0.113234D+01  0.240422D+01 -0.102930D+01
               146           147           148           149           150 
      1   0.233120D+01 -0.475044D+00  0.229035D+01  0.769030D+01 -0.334159D+01
      2  -0.977738D+00  0.604809D+00 -0.907491D+00 -0.608519D+00  0.340031D+01
      3  -0.449791D+01  0.127619D+00 -0.229367D+01 -0.165283D+02 -0.123335D+01
               151           152           153 
      1   0.191854D+00  0.405301D-01  0.713447D+00
      2  -0.810398D+00  0.192728D+01  0.327333D+00
      3  -0.218494D+00  0.112737D+00 -0.212560D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.145910D+00  0.296426D+01  0.424461D+00 -0.323242D+01 -0.503431D+01
      2  -0.526971D+01 -0.161487D+02  0.517195D+00 -0.731442D+01  0.577492D+00
      3   0.512380D+01  0.131844D+02 -0.941655D+00  0.105468D+02  0.445682D+01
      4  -0.621542D+01 -0.147590D+02 -0.392697D+01 -0.733953D+01 -0.145181D+02
      5  -0.520023D+00 -0.228808D+01  0.421716D+00 -0.170347D+01 -0.183246D+01
      6  -0.435872D+01 -0.585359D+00  0.283506D+01 -0.203572D+01 -0.396264D+01
                 6             7             8             9            10 
      1   0.198097D+01  0.466233D+01 -0.464075D+01  0.111644D+02 -0.390549D+02
      2  -0.366567D+01 -0.291808D+01 -0.528042D+01  0.397294D+01  0.200576D+02
      3   0.168470D+01 -0.174426D+01  0.992117D+01 -0.151373D+02  0.189972D+02
      4  -0.179105D+01 -0.789685D+01 -0.968909D+00 -0.334886D+01  0.166849D+02
      5  -0.134137D+01 -0.319574D+00 -0.125071D+01  0.428735D+01  0.880007D+01
      6   0.325092D+01  0.376503D+01 -0.384494D+01  0.162957D+02 -0.427312D+01
                11            12            13            14            15 
      1   0.619613D+01  0.101856D+01  0.143288D+02  0.830206D+00 -0.498615D+01
      2   0.189735D+01 -0.536547D+01 -0.908214D+01 -0.316538D+01  0.167580D+01
      3  -0.809349D+01  0.434692D+01 -0.524662D+01  0.233518D+01  0.331035D+01
      4  -0.106894D+02 -0.248209D+01 -0.286845D+01  0.218434D+01  0.134767D+01
      5  -0.194141D+01 -0.104526D+02 -0.192116D+01  0.196638D+01  0.457581D+01
      6   0.638249D+01  0.349097D+01  0.215006D+01  0.925377D+00 -0.434111D+01
                16            17            18            19            20 
      1   0.969650D+01 -0.481085D+01 -0.687470D+01 -0.285050D+01 -0.314463D+01
      2  -0.496879D+01  0.288946D+01 -0.728936D+00  0.415044D+01  0.154897D+01
      3  -0.472771D+01  0.192139D+01  0.760363D+01 -0.129994D+01  0.159566D+01
      4  -0.172474D+01  0.552846D+01  0.308245D+01 -0.312616D+00  0.252549D+01
      5   0.119209D+01  0.125293D+01  0.731529D+01 -0.380565D+01 -0.955832D+00
      6   0.155550D+01 -0.261114D+00  0.520477D+00 -0.387260D+01 -0.279052D+01
                21            22            23            24            25 
      1   0.620443D+01  0.440242D+01  0.752678D+01  0.298692D+01  0.165311D+00
      2   0.337835D+01 -0.372894D+01 -0.199587D+02 -0.295299D+01  0.206592D+01
      3  -0.958277D+01 -0.673483D+00  0.124319D+02 -0.339302D-01 -0.223123D+01
      4  -0.299407D+00  0.153567D-01  0.248897D+01 -0.308299D-01 -0.742170D+00
      5   0.373960D+00 -0.137535D+01  0.407592D+00  0.323120D+01  0.236013D+01
      6   0.588922D+01  0.968895D+00 -0.339352D+01  0.331039D+01  0.136421D+01
                26            27            28            29            30 
      1   0.171774D+01  0.185115D+02  0.783021D+00 -0.409602D+01  0.525509D+01
      2  -0.869108D+01  0.492313D+01  0.305426D+01  0.172949D+01 -0.508628D+01
      3   0.697335D+01 -0.234346D+02 -0.383728D+01  0.236652D+01 -0.168810D+00
      4  -0.162581D+01  0.325756D+01 -0.360440D+01  0.222843D+01 -0.163498D+01
      5   0.259903D+01 -0.107410D+02  0.126056D+02  0.112220D+01 -0.180547D+02
      6   0.553738D+00  0.117668D+02  0.280734D+01 -0.145067D+01 -0.443971D+01
                31            32            33            34            35 
      1  -0.683631D+01  0.721544D+01 -0.328935D+01  0.219991D+01 -0.349187D+01
      2   0.460678D+01 -0.412857D+01  0.180474D+01 -0.521518D+01  0.914771D+00
      3   0.222952D+01 -0.308687D+01  0.148461D+01  0.301527D+01  0.257710D+01
      4   0.408633D+01  0.789798D+01  0.349179D+00 -0.436163D+01 -0.229835D+01
      5  -0.445374D+00  0.909104D+00 -0.572368D+01 -0.213471D+02 -0.712313D+01
      6   0.218740D+00 -0.119710D+01 -0.186504D+01 -0.495653D+01 -0.611859D+00
                36            37            38            39            40 
      1  -0.158607D+02 -0.291892D+01  0.138038D+01 -0.147784D+00  0.246635D+01
      2   0.130612D+02 -0.418104D+01  0.965035D+01 -0.162258D+01  0.771718D+01
      3   0.279954D+01  0.709996D+01 -0.110307D+02  0.177036D+01 -0.101835D+02
      4  -0.878000D+01  0.437437D+01 -0.126077D+02  0.811863D+01 -0.108762D+02
      5   0.107901D+02 -0.628913D+01  0.319943D+01  0.166434D+01  0.103508D+01
      6   0.170866D+01  0.578540D+01 -0.438376D+01 -0.317573D+01 -0.358811D+01
                41            42            43            44            45 
      1  -0.534957D+01  0.596938D+01 -0.117992D+01  0.965986D+01  0.144793D+02
      2   0.653071D+01  0.198521D+01 -0.216402D+01  0.234071D+01 -0.552502D+01
      3  -0.118114D+01 -0.795458D+01  0.334394D+01 -0.120006D+02 -0.895427D+01
      4   0.626436D+01 -0.284951D+01  0.120587D+02 -0.267111D+01  0.656542D+01
      5  -0.233402D+01  0.200425D+01  0.237639D+01  0.408353D+01  0.223455D+01
      6   0.190802D+01 -0.971174D+01 -0.953661D+00 -0.118957D+02 -0.200844D+02
                46            47            48            49            50 
      1   0.842386D+02 -0.125634D+02 -0.606610D+01 -0.131202D+02  0.965755D+01
      2  -0.443765D+02  0.336386D+01  0.593016D+01  0.406926D+01  0.624408D+00
      3  -0.398621D+02  0.919950D+01  0.135948D+00  0.905097D+01 -0.102820D+02
      4  -0.250306D+02  0.221408D+02  0.427870D+01  0.245101D+02 -0.154917D+02
      5  -0.112958D+02  0.313339D+01  0.213895D+02  0.363900D+01 -0.410667D+01
      6   0.742908D+01 -0.418282D+01 -0.545524D+01 -0.429300D+01  0.413508D+01
                51            52            53            54            55 
      1   0.154199D+01 -0.761575D+01  0.199963D+01  0.105155D+02 -0.244944D+01
      2  -0.797581D+00  0.650125D+01 -0.300198D+00 -0.110171D+02 -0.623239D+00
      3  -0.744410D+00  0.111450D+01 -0.169943D+01  0.501566D+00  0.307268D+01
      4  -0.518539D+01  0.505069D+01 -0.509796D+01 -0.737553D+01  0.261168D+00
      5  -0.630785D+01  0.232080D+02 -0.676347D+01 -0.120732D+02 -0.266524D+00
      6   0.746902D+01 -0.579215D+01  0.795274D+01  0.388014D+01 -0.281573D+01
                56            57            58            59            60 
      1   0.669344D+00 -0.156571D+01 -0.138706D+00 -0.468967D+01  0.356966D+01
      2   0.765951D+00  0.522701D+00  0.846401D+00  0.336701D+01 -0.385717D+01
      3  -0.143529D+01  0.104301D+01 -0.707695D+00  0.132267D+01  0.287503D+00
      4   0.458852D+01 -0.230927D+01  0.231104D+01  0.253666D+01 -0.103957D+01
      5  -0.102717D+01  0.505242D+01  0.318944D+00 -0.556130D+00 -0.159489D+00
      6  -0.939707D-01 -0.176172D+01 -0.143131D+00 -0.475285D+01  0.701289D+01
                61            62            63            64            65 
      1  -0.327045D+01  0.901864D+01 -0.197915D+02  0.806466D+01 -0.902778D-01
      2   0.148878D+01 -0.312513D+01 -0.874610D+01  0.476902D+01  0.124203D+02
      3   0.178167D+01 -0.589351D+01  0.285376D+02 -0.128337D+02 -0.123300D+02
      4  -0.247973D+01 -0.284144D+01  0.453146D+01  0.209599D+02  0.232023D+02
      5   0.487635D+01  0.202758D+01 -0.775107D+01  0.127083D+01  0.777677D+00
      6  -0.279983D+00  0.119110D+02 -0.245430D+02  0.132176D+01  0.536209D+00
                66            67            68            69            70 
      1   0.564615D+00 -0.599425D+00 -0.911309D+01 -0.111790D+00  0.821083D+00
      2   0.133612D+00  0.106956D+02  0.263065D+02  0.185754D+01  0.830320D+00
      3  -0.698227D+00 -0.100962D+02 -0.171934D+02 -0.174575D+01 -0.165140D+01
      4   0.133682D+01  0.169364D+02  0.242283D+02  0.171831D+01  0.476357D+01
      5   0.391401D+01  0.768255D+00  0.234488D+01  0.231830D+01  0.367422D+01
      6   0.302995D+01  0.435403D+00  0.139824D+01  0.510929D+01  0.339347D+01
                71            72            73            74            75 
      1  -0.392793D+00 -0.290848D+01  0.144050D+00  0.232926D+01 -0.404362D+01
      2   0.475172D+01  0.264153D+01 -0.430735D+01 -0.488205D+00 -0.318698D+01
      3  -0.435892D+01  0.266949D+00  0.416330D+01 -0.184105D+01  0.723060D+01
      4   0.443689D+01  0.550197D+01 -0.171467D+01  0.295192D+01 -0.391837D+01
      5   0.421367D+01  0.163343D+01  0.524650D+01 -0.221370D+01  0.960679D+01
      6   0.736476D+01  0.535326D+00 -0.280398D+01  0.300430D+01 -0.524311D+01
                76            77            78            79            80 
      1   0.469985D+00 -0.632776D+01  0.253615D+01 -0.161602D+01  0.658247D+01
      2   0.274256D+00  0.357495D+01 -0.350428D+01 -0.268514D+01 -0.484176D+00
      3  -0.744241D+00  0.275282D+01  0.968130D+00  0.430116D+01 -0.609829D+01
      4   0.121220D+01 -0.653008D+00  0.140070D+01 -0.389784D+01  0.194125D+01
      5   0.254053D+00  0.162774D+01 -0.257429D+00  0.659690D+01 -0.219682D+01
      6   0.156333D+01 -0.390361D+01  0.712075D+01 -0.290238D+01  0.986802D+01
                81            82            83            84            85 
      1  -0.265050D+02 -0.233675D+00  0.437031D+00 -0.105105D+01 -0.122003D+01
      2  -0.141191D+02  0.361617D+01 -0.100482D+01  0.462074D+00  0.120726D+01
      3   0.406241D+02 -0.338249D+01  0.567794D+00  0.588976D+00  0.127746D-01
      4  -0.322429D+01 -0.234954D+00  0.815565D+01  0.638051D+00  0.650109D+01
      5   0.116616D+02 -0.647989D+00 -0.110630D+01  0.181005D+01 -0.367472D+00
      6  -0.206566D+02  0.661093D+00  0.376163D+00 -0.329277D+00  0.379643D+00
                86            87            88            89            90 
      1  -0.244178D+02  0.411395D+00 -0.447973D+00 -0.326518D+01 -0.566872D+01
      2   0.436362D+02  0.208611D+01  0.129563D+00  0.826079D+01  0.395644D+01
      3  -0.192185D+02 -0.249751D+01  0.318410D+00 -0.499561D+01  0.171228D+01
      4  -0.161110D+01  0.119756D-01  0.225996D+01 -0.111232D+01 -0.334386D+00
      5   0.181231D+00 -0.496553D+00  0.839383D+00 -0.229948D+00  0.725383D+00
      6  -0.380380D+01  0.612605D+01  0.115085D+00  0.659991D+01  0.637094D+00
                91            92            93            94            95 
      1   0.173580D+02  0.242141D+01 -0.833056D+01  0.226960D+01  0.305612D+00
      2  -0.152706D+02 -0.195741D+01  0.100887D+02 -0.139369D+01 -0.263082D+00
      3  -0.208741D+01 -0.463998D+00 -0.175811D+01 -0.875904D+00 -0.425300D-01
      4   0.525300D+01  0.503000D+01 -0.213876D+01  0.583764D+01  0.141813D+01
      5  -0.211107D+02 -0.234119D+01  0.203978D+02 -0.210616D+01 -0.598646D+01
      6  -0.296571D+01 -0.243812D+01  0.338666D+01 -0.302114D+01 -0.213219D+01
                96            97            98            99           100 
      1   0.935481D-01 -0.664729D+01 -0.831755D-03  0.239350D+01 -0.190406D+02
      2   0.216064D+00  0.115900D+02  0.123160D+01 -0.159514D+02  0.123717D+02
      3  -0.309613D+00 -0.494270D+01 -0.123077D+01  0.135579D+02  0.666885D+01
      4  -0.442721D+01 -0.241006D+01 -0.344862D+01  0.327782D+01  0.110070D+02
      5   0.340347D+01  0.214737D+02  0.367670D+01 -0.269818D+02 -0.113596D+02
      6   0.583133D+01  0.308648D+01  0.495069D+01 -0.534520D+01  0.324445D+01
               101           102           103           104           105 
      1   0.157213D+02 -0.164013D+02  0.207176D+02 -0.105526D+02  0.461902D+01
      2  -0.144623D+02  0.323488D+00 -0.190095D+02 -0.958841D+01 -0.576202D+01
      3  -0.125897D+01  0.160779D+02 -0.170809D+01  0.201410D+02  0.114299D+01
      4  -0.117343D+02  0.278621D+01 -0.168372D+02 -0.267995D+02 -0.188885D+01
      5   0.705403D+01  0.769804D+01  0.891010D+01 -0.435829D+01  0.582901D+01
      6  -0.350984D+01  0.606451D+01 -0.496370D+01 -0.559056D+01  0.222494D+01
               106           107           108           109           110 
      1  -0.130638D+02  0.442825D+01  0.189062D+02 -0.177666D+01 -0.275744D+01
      2   0.665661D+00 -0.397891D+01 -0.443381D+01  0.453326D+00  0.969330D+00
      3   0.123981D+02 -0.449341D+00 -0.144724D+02  0.132333D+01  0.178811D+01
      4   0.427419D+01  0.177504D+01  0.104947D+02 -0.386232D+00  0.500034D+01
      5   0.963651D+01  0.642878D+01  0.283021D+01  0.327653D+00  0.183777D+01
      6   0.662431D+01  0.164496D+01  0.171449D+00  0.396907D+01  0.229689D+01
               111           112           113           114           115 
      1  -0.284950D+01 -0.637100D+00 -0.982016D+01 -0.916556D+01 -0.197491D+01
      2   0.126785D+01 -0.592620D+00  0.861046D+01  0.625624D+01  0.122181D+01
      3   0.158165D+01  0.122972D+01  0.120971D+01  0.290932D+01  0.753096D+00
      4   0.279690D+01  0.420138D+01 -0.356953D+01 -0.238845D+01  0.312187D+01
      5   0.489919D+01  0.112290D+01 -0.197491D+01 -0.203286D+01  0.443674D+01
      6   0.321860D+01  0.519904D+00  0.127422D+02  0.146002D+02 -0.456518D+00
               116           117           118           119           120 
      1  -0.128814D+02 -0.214838D+02  0.104195D+02 -0.156370D+01  0.188410D+01
      2   0.636098D+01 -0.152952D+01  0.314361D+01 -0.944102D+01  0.832337D+00
      3   0.652041D+01  0.230133D+02 -0.135631D+02  0.110047D+02 -0.271644D+01
      4  -0.416175D+01 -0.528035D+01 -0.213164D+02  0.194060D+02 -0.526693D+01
      5  -0.397532D+01 -0.727113D+01  0.360945D+01 -0.189263D+01  0.434859D+01
      6   0.186028D+02  0.299633D+02 -0.361471D+01  0.192686D+01 -0.363895D+01
               121           122           123           124           125 
      1  -0.860425D+00 -0.439676D+01  0.237012D+00  0.219262D+01  0.809509D+00
      2  -0.902420D+01  0.181208D+02 -0.375654D+01  0.139985D+01 -0.644859D+01
      3   0.988462D+01 -0.137241D+02  0.351953D+01 -0.359247D+01  0.563908D+01
      4   0.165707D+02 -0.199409D+02  0.414839D+01 -0.819281D+01  0.760036D+01
      5  -0.165256D+01  0.238700D+01 -0.264210D+01  0.501385D+01 -0.414497D+01
      6   0.176058D+01 -0.378146D+01  0.608368D+01 -0.415627D+01  0.750108D+01
               126           127           128           129           130 
      1  -0.180115D+01 -0.577386D+01 -0.121428D+01  0.110815D+02 -0.264509D+01
      2   0.267740D+01 -0.698879D+00  0.819369D+00  0.139490D+01  0.201913D+01
      3  -0.876245D+00  0.647273D+01  0.394916D+00 -0.124764D+02  0.625960D+00
      4  -0.640611D+01 -0.404639D+01  0.256820D+00  0.123603D+01  0.217915D+01
      5   0.379000D+01 -0.195099D+01 -0.137179D+01 -0.216278D+01 -0.123103D+01
      6  -0.316250D+01  0.913334D+00 -0.241366D+01 -0.394157D+01 -0.919502D+00
               131           132           133           134           135 
      1  -0.242513D+01 -0.590212D+00  0.106832D+02 -0.863862D+00 -0.205911D+02
      2   0.147138D+01  0.222385D+01 -0.736560D+00  0.135638D+01 -0.889537D+01
      3   0.953748D+00 -0.163364D+01 -0.994668D+01 -0.492520D+00  0.294865D+02
      4   0.225838D+01  0.215433D+01  0.243199D+01  0.250079D+01 -0.291471D+01
      5   0.164830D+01 -0.163256D+01  0.265196D+01  0.110631D+00  0.111736D+02
      6   0.112515D+01  0.412994D+01 -0.158713D+01  0.465357D+01  0.663774D+01
               136           137           138           139           140 
      1   0.508093D+02 -0.134482D+02  0.100301D+02 -0.210016D+02  0.106571D+02
      2  -0.297519D+02  0.867780D+01 -0.801021D+01  0.126277D+02 -0.373199D+01
      3  -0.210575D+02  0.477035D+01 -0.201991D+01  0.837396D+01 -0.692513D+01
      4  -0.850340D+01  0.114437D+02 -0.157650D+01  0.125539D+02 -0.826623D+01
      5   0.199987D+02 -0.511789D+01  0.118540D+02 -0.935640D+01  0.501417D+01
      6  -0.338137D+01  0.406100D+01 -0.117254D+01  0.431702D+01 -0.335078D+01
               141           142           143           144           145 
      1  -0.383958D+01  0.688289D+01 -0.170925D+01  0.461038D+01  0.975911D+01
      2   0.429681D+01 -0.630972D+01  0.245929D+01 -0.620400D+01 -0.948879D+00
      3  -0.457228D+00 -0.573165D+00 -0.750031D+00  0.159362D+01 -0.881023D+01
      4   0.280004D+01 -0.160643D+01  0.899255D+00 -0.360902D+01  0.118018D+02
      5  -0.738008D+01  0.112863D+02 -0.485688D+01  0.657029D+01  0.387787D+01
      6   0.180279D+01 -0.164566D+01  0.191389D+01 -0.834299D+00  0.195442D+01
               146           147           148           149           150 
      1   0.539478D+01  0.197968D+01  0.631868D+01 -0.293297D+01 -0.110979D+01
      2   0.234164D+01 -0.573257D+00  0.471791D+01  0.257504D+02  0.186661D+00
      3  -0.773642D+01 -0.140643D+01 -0.110366D+02 -0.228174D+02  0.923128D+00
      4   0.161609D+02  0.108153D+01  0.217238D+02  0.405500D+02  0.416045D+01
      5   0.185107D+01  0.256605D+01  0.411064D+01  0.466254D+01  0.661194D+01
      6   0.326482D+01  0.124288D+01  0.514092D+01  0.123540D+02  0.717214D+01
               151           152           153 
      1  -0.481250D+00 -0.130571D+01 -0.264643D+01
      2   0.110888D+00 -0.140356D+01  0.236679D+01
      3   0.370363D+00  0.270927D+01  0.279636D+00
      4  -0.648733D+00 -0.455784D+00  0.456192D+01
      5   0.276187D+01  0.512538D+01  0.296753D+00
      6   0.180320D+01  0.639714D+01  0.122911D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 14:32:49 2021, MaxMem= 10737418240 cpu:            7320.9 elap:             458.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45594 -10.53312 -10.45418 -10.44635 -10.44602
 Alpha  occ. eigenvalues --  -10.44470 -10.43697  -1.17327  -0.98941  -0.88057
 Alpha  occ. eigenvalues --   -0.84640  -0.79065  -0.69345  -0.65660  -0.61775
 Alpha  occ. eigenvalues --   -0.59372  -0.56450  -0.54508  -0.53368  -0.52097
 Alpha  occ. eigenvalues --   -0.51177  -0.49064  -0.46013  -0.44750  -0.44014
 Alpha  occ. eigenvalues --   -0.43606  -0.35449
 Alpha virt. eigenvalues --    0.04709   0.05279   0.06707   0.06847   0.07623
 Alpha virt. eigenvalues --    0.09447   0.10093   0.11782   0.12711   0.13303
 Alpha virt. eigenvalues --    0.15621   0.16270   0.16475   0.17674   0.18368
 Alpha virt. eigenvalues --    0.19392   0.20359   0.21480   0.22939   0.24324
 Alpha virt. eigenvalues --    0.24769   0.25225   0.26035   0.26783   0.27800
 Alpha virt. eigenvalues --    0.28600   0.29611   0.31456   0.31969   0.33105
 Alpha virt. eigenvalues --    0.33515   0.34354   0.34837   0.35023   0.36062
 Alpha virt. eigenvalues --    0.37459   0.37710   0.38460   0.39201   0.39640
 Alpha virt. eigenvalues --    0.40267   0.40688   0.40938   0.41503   0.42055
 Alpha virt. eigenvalues --    0.42816   0.42989   0.43661   0.45326   0.45605
 Alpha virt. eigenvalues --    0.46209   0.46544   0.47634   0.48988   0.49056
 Alpha virt. eigenvalues --    0.50088   0.50932   0.51484   0.51943   0.52433
 Alpha virt. eigenvalues --    0.53414   0.53555   0.54561   0.54874   0.56210
 Alpha virt. eigenvalues --    0.56641   0.57467   0.58129   0.58997   0.59491
 Alpha virt. eigenvalues --    0.60092   0.60802   0.61461   0.62172   0.62520
 Alpha virt. eigenvalues --    0.64277   0.64969   0.66284   0.66553   0.68776
 Alpha virt. eigenvalues --    0.69856   0.71318   0.72457   0.73336   0.73816
 Alpha virt. eigenvalues --    0.76541   0.77393   0.79139   0.80954   0.83370
 Alpha virt. eigenvalues --    0.85512   0.88364   0.89025   0.94967   0.96913
 Alpha virt. eigenvalues --    1.00760   1.01451   1.02928   1.03893   1.06105
 Alpha virt. eigenvalues --    1.06642   1.07727   1.08238   1.08967   1.09967
 Alpha virt. eigenvalues --    1.10927   1.11795   1.12847   1.13696   1.16431
 Alpha virt. eigenvalues --    1.17537   1.19884   1.21296   1.23302   1.24949
 Alpha virt. eigenvalues --    1.26149   1.32467   1.33192   1.35052   1.35914
 Alpha virt. eigenvalues --    1.38560   1.43541   1.44134   1.48625   1.51096
 Alpha virt. eigenvalues --    1.52488   1.57631   1.63950   1.69083   1.71193
 Alpha virt. eigenvalues --    1.74338   1.76564   1.81039   1.81755   1.82623
 Alpha virt. eigenvalues --    1.85539   1.86607   1.88961   1.90381   1.91918
 Alpha virt. eigenvalues --    1.93099   1.94839   1.96512   1.98584   1.99456
 Alpha virt. eigenvalues --    2.01098   2.02805   2.07299   2.08003   2.09538
 Alpha virt. eigenvalues --    2.11161   2.12445   2.13143   2.15440   2.18697
 Alpha virt. eigenvalues --    2.19340   2.22453   2.25011   2.25385   2.28565
 Alpha virt. eigenvalues --    2.30395   2.34368   2.36226   2.38270   2.41941
 Alpha virt. eigenvalues --    2.45348   2.48703   2.51382   2.54894   2.57118
 Alpha virt. eigenvalues --    2.59989   2.62009   2.64754   2.67007   2.68595
 Alpha virt. eigenvalues --    2.73400   2.75652   2.80553   2.81071   2.90384
 Alpha virt. eigenvalues --    2.95143   2.96684   3.03543   3.04538   3.09893
 Alpha virt. eigenvalues --    3.11314   3.14350   3.15866   3.21797   3.22909
 Alpha virt. eigenvalues --    3.23679   3.27201   3.31292   3.34521   3.53409
 Alpha virt. eigenvalues --    3.89853
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.848542   0.366906  -0.327978   0.046774   0.326133  -0.053228
     2  C    0.366906   5.251502   0.124755   0.081160   0.017421   0.548240
     3  C   -0.327978   0.124755   5.041680   0.230097  -0.021067   0.027103
     4  C    0.046774   0.081160   0.230097   5.330667   0.283730  -0.034676
     5  C    0.326133   0.017421  -0.021067   0.283730   4.448541  -0.010515
     6  O   -0.053228   0.548240   0.027103  -0.034676  -0.010515   7.734802
     7  H    0.219288   0.074566  -0.013434   0.047581   0.007879  -0.041978
     8  H    0.306091   0.023323   0.007568  -0.015366  -0.021911  -0.010115
     9  H   -0.011399   0.040412   0.256062   0.014323   0.004318  -0.037497
    10  H    0.001403   0.056275   0.237214  -0.036919   0.014232  -0.030475
    11  H    0.008413   0.000869   0.002688   0.190211   0.017063   0.001137
    12  C    0.006733  -0.009232  -0.056566   0.487821  -0.043106  -0.002071
    13  H   -0.044018   0.011799   0.007774  -0.009116   0.362406  -0.000188
    14  H    0.040025  -0.022452   0.033894   0.039918   0.230167   0.005398
    15  H    0.008650   0.027240  -0.034916   0.141138  -0.024851  -0.002001
    16  H   -0.009435  -0.009775   0.026435   0.077881  -0.029485   0.000872
    17  H   -0.001252  -0.009181  -0.014919   0.083533   0.015370   0.000136
               7          8          9         10         11         12
     1  C    0.219288   0.306091  -0.011399   0.001403   0.008413   0.006733
     2  C    0.074566   0.023323   0.040412   0.056275   0.000869  -0.009232
     3  C   -0.013434   0.007568   0.256062   0.237214   0.002688  -0.056566
     4  C    0.047581  -0.015366   0.014323  -0.036919   0.190211   0.487821
     5  C    0.007879  -0.021911   0.004318   0.014232   0.017063  -0.043106
     6  O   -0.041978  -0.010115  -0.037497  -0.030475   0.001137  -0.002071
     7  H    0.748390  -0.085658   0.004641  -0.002711  -0.010632   0.003174
     8  H   -0.085658   0.857572  -0.001547   0.000574   0.003421   0.000114
     9  H    0.004641  -0.001547   0.705348  -0.070547  -0.047470   0.011913
    10  H   -0.002711   0.000574  -0.070547   0.886098   0.051228  -0.049361
    11  H   -0.010632   0.003421  -0.047470   0.051228   1.148752  -0.029911
    12  C    0.003174   0.000114   0.011913  -0.049361  -0.029911   4.139025
    13  H    0.033152  -0.084801   0.007915  -0.000143  -0.085161   0.019128
    14  H   -0.086888   0.061404  -0.002423  -0.001362   0.061871  -0.065439
    15  H   -0.004849  -0.002439  -0.004748  -0.010721  -0.004153   0.286733
    16  H    0.001261   0.000557  -0.002513   0.002453  -0.001782   0.255851
    17  H    0.000815   0.000254   0.007009  -0.011504  -0.008985   0.268373
              13         14         15         16         17
     1  C   -0.044018   0.040025   0.008650  -0.009435  -0.001252
     2  C    0.011799  -0.022452   0.027240  -0.009775  -0.009181
     3  C    0.007774   0.033894  -0.034916   0.026435  -0.014919
     4  C   -0.009116   0.039918   0.141138   0.077881   0.083533
     5  C    0.362406   0.230167  -0.024851  -0.029485   0.015370
     6  O   -0.000188   0.005398  -0.002001   0.000872   0.000136
     7  H    0.033152  -0.086888  -0.004849   0.001261   0.000815
     8  H   -0.084801   0.061404  -0.002439   0.000557   0.000254
     9  H    0.007915  -0.002423  -0.004748  -0.002513   0.007009
    10  H   -0.000143  -0.001362  -0.010721   0.002453  -0.011504
    11  H   -0.085161   0.061871  -0.004153  -0.001782  -0.008985
    12  C    0.019128  -0.065439   0.286733   0.255851   0.268373
    13  H    1.005119  -0.226082  -0.003037   0.007070  -0.002228
    14  H   -0.226082   1.092923  -0.018122   0.008501   0.003751
    15  H   -0.003037  -0.018122   0.706730  -0.002448  -0.004739
    16  H    0.007070   0.008501  -0.002448   0.797267  -0.130014
    17  H   -0.002228   0.003751  -0.004739  -0.130014   0.776962
 Mulliken charges:
               1
     1  C    0.268354
     2  C   -0.573828
     3  C    0.473610
     4  C   -0.958756
     5  C    0.423674
     6  O   -0.094944
     7  H    0.105405
     8  H   -0.039042
     9  H    0.126203
    10  H   -0.035731
    11  H   -0.297557
    12  C    0.776821
    13  H    0.000410
    14  H   -0.155083
    15  H   -0.053464
    16  H    0.007305
    17  H    0.026621
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.334717
     2  C   -0.573828
     3  C    0.564082
     4  C   -1.256313
     5  C    0.269001
     6  O   -0.094944
    12  C    0.757283
 Electronic spatial extent (au):  <R**2>=            753.2345
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.1978    Y=              1.0537    Z=              0.8382  Tot=              3.4697
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.5039   YY=            -42.5036   ZZ=            -42.2398
   XY=              3.1096   XZ=              1.8499   YZ=             -0.7366
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.7548   YY=              3.2455   ZZ=              3.5093
   XY=              3.1096   XZ=              1.8499   YZ=             -0.7366
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -20.7526  YYY=             -1.6529  ZZZ=              0.9758  XYY=              0.9399
  XXY=              7.6001  XXZ=              4.7202  XZZ=              2.5230  YZZ=              0.1780
  YYZ=              0.0120  XYZ=             -0.3945
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -614.8602 YYYY=           -280.2950 ZZZZ=           -152.2078 XXXY=             11.6893
 XXXZ=              8.9833 YYYX=              3.4132 YYYZ=              0.7621 ZZZX=             -3.5513
 ZZZY=             -1.8617 XXYY=           -141.2928 XXZZ=           -121.1926 YYZZ=            -74.4779
 XXYZ=             -2.5917 YYXZ=              0.9135 ZZXY=             -1.7292
 N-N= 3.098033475478D+02 E-N=-1.337423333429D+03  KE= 3.057613687982D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 14:32:50 2021, MaxMem= 10737418240 cpu:               4.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.16023980D+00 3.83638416D-01 3.11601665D-01
 Polarizability= 7.65775188D+01-6.64074882D-01 7.04326567D+01
                -1.24347565D+00-1.39431419D+00 6.23398858D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.7571    0.7549       -0.5094   -0.5115
 2     -0.7571   -0.7549        0.6420    0.6402       -3.7034   -3.7085
 3      0.5094    0.5115        7.6943    7.6957       -0.6409   -0.6402
 4     -0.6420   -0.6402        0.0000    0.0000        0.5074    0.5115
 5     -3.9908   -3.9871       -0.5074   -0.5115        0.7566    0.7549
 6      0.6409    0.6402       -0.7566   -0.7549        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.2647   -2.2647       -1.5345   -1.5345
 2     -1.9206   -1.9206        0.0000    0.0000       -1.5345   -1.5345
 3     -1.9206   -1.9206       -2.2647   -2.2647       -0.0000    0.0000
 4     -2.2647   -2.2647        1.9206    1.9206      -11.1256  -11.1256
 5      1.5345    1.5345       23.0871   23.0871       -1.9206   -1.9206
 6    -11.9614  -11.9614       -1.5345   -1.5345        2.2647    2.2647
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1776    0.0000       -3.2224   -3.0196        1.8706    2.0460
 2      3.0703    3.0196       -2.4048   -2.5608       14.6679   14.8342
 3     -2.0464   -2.0460      -30.6342  -30.7827        2.6601    2.5608
 4      2.7449    2.5608       -0.0343    0.0000       -2.3127   -2.0460
 5     15.8901   15.9485        1.9691    2.0460       -2.9580   -3.0196
 6     -2.4645   -2.5608        2.9815    3.0196        0.1009    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2162    0.0000        3.0242    3.5503        8.7875    8.5052
 2     -3.1627   -3.5503       -3.0819   -3.2114       10.8350   10.7307
 3     -8.7460   -8.5052       -1.2996   -1.4370        2.9063    3.2114
 4      3.2191    3.2114        0.1940    0.0000       -8.4450   -8.5052
 5     -9.2741   -9.2937        8.5308    8.5052        2.7777    3.5503
 6     -3.4117   -3.2114       -3.5923   -3.5503       -0.0708    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5678    0.9112       14.5304   14.3806      -23.0076  -22.9803
 2      8.5223    8.6214       18.7201   18.6167      -22.7276  -22.9803
 3      8.5092    8.6214       14.8579   14.3806      -33.0802  -33.3356
 4     -4.4327   -4.2361       -8.1981   -7.7102       18.5400   18.7825
 5    -10.0704  -10.3553        7.4825    7.1878        8.0136    7.7102
 6    -26.2107  -25.9703       10.7001   10.3553        3.2450    4.2361
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.9892   -0.0007    0.0003    0.0005    3.4494    4.9981
 Low frequencies ---   73.8145  173.4091  235.9158
 Diagonal vibrational polarizability:
        6.1916488       7.5430927      17.3727184
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     73.8086               173.4075               235.9153
 Red. masses --      3.3753                 2.0610                 1.0418
 Frc consts  --      0.0108                 0.0365                 0.0342
 IR Inten    --      4.6450                 0.6364                 0.1012
 RamAct Fr= 1--      1.0585                 0.5296                 0.0558
  Dep-P Fr= 1--      0.7435                 0.6486                 0.5987
  Dep-U Fr= 1--      0.8528                 0.7868                 0.7489
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0002
 Beta2  Fr= 1--      0.1505                 0.0695                 0.0070
 AlphaG Fr= 1--      0.0006                -0.0029                 0.0016
 Gamma2 Fr= 1--      0.1046                -0.0344                 0.0365
 Delta2 Fr= 1--     -0.1257                 0.0754                 0.0126
 Raman1 Fr= 1--       4.234                  2.119                  0.223
 ROA1   Fr= 1--       6.017                 -0.888                  3.904
 CID1   Fr= 1--       1.421                 -0.419                 17.479
 Raman2 Fr= 1--       1.806                  0.833                  0.084
 ROA2   Fr= 1--       3.516                 -1.429                  0.774
 CID2   Fr= 1--       1.947                 -1.714                  9.253
 Raman3 Fr= 1--       3.611                  1.667                  0.167
 ROA3   Fr= 1--       6.017                 -0.888                  3.904
 CID3   Fr= 1--       1.666                 -0.533                 23.338
 RC180  Fr= 1--       0.706                  0.574                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.06  -0.13     0.12   0.07   0.14    -0.01  -0.02  -0.02
     2   6     0.04   0.00  -0.02     0.04   0.01   0.02     0.00  -0.01   0.00
     3   6    -0.01  -0.08  -0.17     0.00  -0.00  -0.07     0.01   0.01   0.02
     4   6     0.01  -0.01  -0.00     0.00   0.00  -0.03     0.00  -0.00   0.00
     5   6     0.05  -0.03  -0.01    -0.03   0.02  -0.12    -0.00  -0.00  -0.01
     6   8     0.14   0.10   0.22     0.02  -0.02  -0.02    -0.00  -0.02   0.01
     7   1    -0.16  -0.22  -0.13     0.38   0.27   0.12    -0.01  -0.04  -0.02
     8   1    -0.03   0.01  -0.32     0.08  -0.00   0.43    -0.01  -0.01  -0.04
     9   1     0.01  -0.33  -0.18    -0.01  -0.08  -0.06    -0.00   0.06   0.03
    10   1    -0.05  -0.02  -0.38    -0.00   0.02  -0.13     0.02  -0.00   0.07
    11   1     0.11  -0.01   0.08     0.07   0.05   0.03     0.00  -0.02  -0.00
    12   6    -0.19   0.07   0.08    -0.13  -0.08   0.08     0.00   0.03  -0.01
    13   1     0.16  -0.05  -0.02    -0.27   0.16  -0.14    -0.00   0.02  -0.02
    14   1     0.02   0.01   0.08     0.02  -0.08  -0.34    -0.01  -0.01  -0.02
    15   1    -0.31   0.07  -0.00    -0.26  -0.05  -0.01    -0.19   0.58  -0.08
    16   1    -0.19   0.12   0.23    -0.20  -0.16   0.19    -0.29  -0.32   0.31
    17   1    -0.24   0.08   0.09    -0.04  -0.10   0.15     0.48  -0.12  -0.27
                      4                      5                      6
                      A                      A                      A
 Frequencies --    350.5216               367.8091               460.1283
 Red. masses --      2.0769                 1.9011                 2.4824
 Frc consts  --      0.1503                 0.1515                 0.3097
 IR Inten    --      0.8386                 0.6952                 2.8322
 RamAct Fr= 1--      0.6077                 0.9080                 0.6652
  Dep-P Fr= 1--      0.6172                 0.1512                 0.7392
  Dep-U Fr= 1--      0.7633                 0.2626                 0.8501
 Alpha2 Fr= 1--      0.0015                 0.0140                 0.0001
 Beta2  Fr= 1--      0.0773                 0.0397                 0.0942
 AlphaG Fr= 1--     -0.0082                 0.0136                -0.0002
 Gamma2 Fr= 1--     -0.1858                -0.0315                 1.6559
 Delta2 Fr= 1--     -0.0832                 0.0249                 0.1042
 Raman1 Fr= 1--       2.431                  3.632                  2.661
 ROA1   Fr= 1--     -20.500                 -2.228                162.298
 CID1   Fr= 1--      -8.433                 -0.613                 60.997
 Raman2 Fr= 1--       0.928                  0.477                  1.131
 ROA2   Fr= 1--      -3.793                 -0.955                 38.908
 CID2   Fr= 1--      -4.089                 -2.001                 34.404
 Raman3 Fr= 1--       1.855                  0.954                  2.262
 ROA3   Fr= 1--     -20.500                 -2.228                162.298
 CID3   Fr= 1--     -11.049                 -2.336                 71.755
 RC180  Fr= 1--       0.527                 -0.475                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.01    -0.04  -0.03  -0.01     0.03  -0.08   0.04
     2   6     0.06  -0.01   0.04    -0.03  -0.03   0.01     0.07   0.03   0.24
     3   6     0.08   0.01   0.12    -0.00  -0.09  -0.03    -0.04  -0.06   0.06
     4   6     0.01  -0.09  -0.02     0.03  -0.00   0.13    -0.01   0.05  -0.05
     5   6    -0.06  -0.09  -0.07    -0.08   0.02  -0.10     0.05   0.04  -0.01
     6   8     0.05   0.03  -0.05    -0.02   0.02  -0.01    -0.02   0.09  -0.15
     7   1     0.05  -0.08   0.00     0.06  -0.02  -0.02    -0.07  -0.56   0.02
     8   1    -0.07  -0.01   0.04    -0.04  -0.05   0.05    -0.01   0.09  -0.36
     9   1    -0.00   0.30   0.15     0.09  -0.40  -0.06    -0.27  -0.42   0.12
    10   1     0.20  -0.08   0.38    -0.11  -0.00  -0.30    -0.06   0.04  -0.27
    11   1     0.01  -0.11  -0.02     0.03   0.00   0.13    -0.05   0.10  -0.07
    12   6    -0.10   0.15  -0.04     0.13   0.10   0.06    -0.03  -0.03  -0.03
    13   1    -0.16   0.02  -0.09    -0.23   0.34  -0.20     0.03   0.02  -0.00
    14   1    -0.07  -0.19  -0.18    -0.12  -0.22  -0.36     0.11   0.09  -0.04
    15   1    -0.14   0.13  -0.07     0.26   0.18   0.17    -0.08  -0.05  -0.07
    16   1     0.05   0.42   0.11     0.19   0.16  -0.01    -0.08  -0.10  -0.02
    17   1    -0.39   0.22  -0.19     0.10   0.10  -0.10     0.04  -0.04   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    476.2593               584.2538               671.7618
 Red. masses --      3.3336                 3.3245                 2.5949
 Frc consts  --      0.4455                 0.6686                 0.6899
 IR Inten    --      5.2865                 4.3026                 3.0134
 RamAct Fr= 1--      1.6056                 3.2276                 2.2218
  Dep-P Fr= 1--      0.7493                 0.2570                 0.1323
  Dep-U Fr= 1--      0.8567                 0.4089                 0.2337
 Alpha2 Fr= 1--      0.0000                 0.0375                 0.0359
 Beta2  Fr= 1--      0.2292                 0.2199                 0.0865
 AlphaG Fr= 1--     -0.0008                -0.1583                -0.0319
 Gamma2 Fr= 1--     -1.7955                -0.9686                 0.6042
 Delta2 Fr= 1--      0.1275                 0.1839                 0.0600
 Raman1 Fr= 1--       6.422                 12.910                  8.887
 ROA1   Fr= 1--    -168.288                -87.102                 59.925
 CID1   Fr= 1--     -26.203                 -6.747                  6.743
 Raman2 Fr= 1--       2.751                  2.639                  1.038
 ROA2   Fr= 1--     -44.112                -24.718                 14.021
 CID2   Fr= 1--     -16.035                 -9.365                 13.504
 Raman3 Fr= 1--       5.502                  5.279                  2.077
 ROA3   Fr= 1--    -168.288                -87.102                 59.925
 CID3   Fr= 1--     -30.587                -16.501                 28.856
 RC180  Fr= 1--       0.713                 -0.182                 -0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.15   0.03    -0.08  -0.08   0.13    -0.03  -0.03   0.09
     2   6    -0.09  -0.16  -0.12     0.15  -0.10  -0.07    -0.14  -0.07  -0.02
     3   6    -0.13  -0.08   0.06    -0.02   0.07  -0.09     0.09  -0.08  -0.04
     4   6    -0.07   0.06   0.02    -0.08   0.11   0.01     0.20   0.01  -0.12
     5   6     0.08   0.01  -0.01    -0.16   0.10   0.10     0.01   0.14   0.04
     6   8     0.08   0.25  -0.03     0.20  -0.08  -0.04    -0.10   0.04   0.05
     7   1     0.20   0.17   0.03    -0.37  -0.30   0.14    -0.27  -0.20   0.10
     8   1     0.24  -0.41   0.30    -0.11   0.07  -0.25     0.18  -0.12  -0.22
     9   1    -0.02   0.20   0.04     0.04   0.26  -0.10     0.14   0.20  -0.04
    10   1    -0.31  -0.17   0.37    -0.20  -0.01   0.16     0.10  -0.15   0.19
    11   1    -0.12   0.15   0.00    -0.04  -0.06   0.02     0.17  -0.09  -0.16
    12   6     0.01  -0.02   0.01    -0.00  -0.00  -0.01     0.02  -0.00  -0.02
    13   1     0.11  -0.00  -0.01    -0.37   0.26   0.07    -0.25   0.27   0.03
    14   1     0.16   0.09  -0.02    -0.04   0.03  -0.19     0.02  -0.05  -0.21
    15   1     0.06   0.01   0.05     0.08  -0.08   0.04    -0.27  -0.15  -0.25
    16   1    -0.04  -0.11  -0.08    -0.04  -0.12  -0.17    -0.01   0.02   0.24
    17   1     0.11  -0.04   0.03     0.10  -0.02   0.11    -0.04   0.03   0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    737.4651               795.4766               814.7672
 Red. masses --      2.2570                 2.7881                 2.3470
 Frc consts  --      0.7232                 1.0395                 0.9180
 IR Inten    --      2.5172                 2.9635                 1.4469
 RamAct Fr= 1--      4.4254                15.9339                 1.7891
  Dep-P Fr= 1--      0.0720                 0.0470                 0.6718
  Dep-U Fr= 1--      0.1342                 0.0897                 0.8037
 Alpha2 Fr= 1--      0.0829                 0.3170                 0.0025
 Beta2  Fr= 1--      0.0990                 0.2383                 0.2396
 AlphaG Fr= 1--      0.1852                 0.2685                -0.0245
 Gamma2 Fr= 1--      0.7934                 0.0851                 0.1751
 Delta2 Fr= 1--      0.4919                -0.1813                 0.0437
 Raman1 Fr= 1--      17.702                 63.735                  7.157
 ROA1   Fr= 1--      91.907                  2.364                 18.211
 CID1   Fr= 1--       5.192                  0.037                  2.545
 Raman2 Fr= 1--       1.188                  2.860                  2.876
 ROA2   Fr= 1--      15.106                  3.492                  3.854
 CID2   Fr= 1--      12.713                  1.221                  1.340
 Raman3 Fr= 1--       2.376                  5.719                  5.751
 ROA3   Fr= 1--      91.907                  2.364                 18.211
 CID3   Fr= 1--      38.676                  0.413                  3.166
 RC180  Fr= 1--      -0.732                 -0.821                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.07  -0.08     0.08   0.12  -0.04     0.03   0.21   0.00
     2   6     0.05  -0.09  -0.01     0.00   0.01  -0.07     0.04  -0.01  -0.01
     3   6     0.02  -0.10   0.16     0.04  -0.11   0.11    -0.18  -0.14  -0.00
     4   6     0.08   0.07  -0.07    -0.08  -0.10   0.13     0.04  -0.04  -0.04
     5   6    -0.08   0.08   0.01     0.06   0.16   0.07     0.05  -0.06  -0.02
     6   8     0.09  -0.03  -0.01     0.02  -0.01   0.01     0.03  -0.00  -0.01
     7   1     0.04   0.46  -0.06    -0.21   0.09  -0.01    -0.22  -0.08   0.01
     8   1    -0.11  -0.07   0.30     0.25   0.05  -0.27    -0.11   0.44  -0.29
     9   1    -0.10  -0.42   0.18     0.19  -0.20   0.07    -0.24   0.25   0.02
    10   1    -0.17  -0.01  -0.12     0.10  -0.08  -0.01    -0.28  -0.26   0.37
    11   1    -0.04   0.09  -0.16    -0.11  -0.06   0.12    -0.01   0.11  -0.05
    12   6     0.00   0.01  -0.03    -0.12  -0.08  -0.14     0.06   0.02   0.07
    13   1     0.08  -0.06   0.04    -0.13   0.43  -0.01    -0.12  -0.04  -0.01
    14   1    -0.20   0.11   0.23     0.09  -0.01  -0.21    -0.06  -0.22  -0.06
    15   1    -0.22  -0.10  -0.20     0.05   0.06   0.01     0.01   0.02   0.04
    16   1    -0.05  -0.01   0.14    -0.06  -0.02  -0.24     0.05   0.04   0.14
    17   1    -0.02   0.02   0.17    -0.15  -0.09  -0.41     0.05   0.03   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.6733               935.6361               964.9773
 Red. masses --      1.7807                 2.0418                 1.4120
 Frc consts  --      0.8248                 1.0531                 0.7747
 IR Inten    --      4.8935                 1.8505                 0.5300
 RamAct Fr= 1--      3.0026                 4.0330                 0.7507
  Dep-P Fr= 1--      0.1972                 0.5857                 0.4628
  Dep-U Fr= 1--      0.3295                 0.7387                 0.6328
 Alpha2 Fr= 1--      0.0411                 0.0124                 0.0044
 Beta2  Fr= 1--      0.1649                 0.4965                 0.0792
 AlphaG Fr= 1--     -0.1080                 0.0455                 0.0550
 Gamma2 Fr= 1--      0.0487                -0.2240                 0.3084
 Delta2 Fr= 1--      0.5249                -1.2701                -0.8541
 Raman1 Fr= 1--      12.010                 16.132                  3.003
 ROA1   Fr= 1--      21.475                -62.144                  2.276
 CID1   Fr= 1--       1.788                 -3.852                  0.758
 Raman2 Fr= 1--       1.979                  5.958                  0.950
 ROA2   Fr= 1--      -3.030                  4.785                 14.235
 CID2   Fr= 1--      -1.531                  0.803                 14.983
 Raman3 Fr= 1--       3.957                 11.917                  1.900
 ROA3   Fr= 1--      21.475                -62.144                  2.276
 CID3   Fr= 1--       5.427                 -5.215                  1.198
 RC180  Fr= 1--      -0.341                  0.477                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.01    -0.10   0.02   0.08    -0.01   0.01   0.10
     2   6     0.01  -0.05   0.10    -0.01   0.02  -0.03    -0.02  -0.03  -0.07
     3   6     0.06  -0.12  -0.09     0.11  -0.09   0.02     0.01   0.03   0.04
     4   6    -0.03  -0.02  -0.00    -0.03   0.13   0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.14  -0.07     0.10  -0.12  -0.06    -0.01   0.02  -0.10
     6   8    -0.01  -0.00  -0.01    -0.02  -0.01   0.02     0.01  -0.00   0.01
     7   1     0.30  -0.12  -0.06    -0.19   0.03   0.09    -0.12  -0.19   0.10
     8   1    -0.10   0.05   0.10    -0.31   0.21   0.07    -0.06   0.14  -0.13
     9   1     0.02   0.30  -0.07     0.30  -0.00  -0.03     0.33  -0.14  -0.04
    10   1     0.21  -0.24   0.29     0.18  -0.11   0.06    -0.24   0.08  -0.08
    11   1     0.14  -0.04   0.13    -0.04   0.44   0.05    -0.03   0.23  -0.00
    12   6    -0.02  -0.00   0.04    -0.07   0.05  -0.05     0.02  -0.07   0.02
    13   1     0.30  -0.11  -0.02     0.03  -0.05  -0.07     0.04  -0.36   0.04
    14   1    -0.12   0.35   0.31     0.17  -0.10  -0.14     0.13   0.33   0.11
    15   1     0.20   0.09   0.21     0.09  -0.08   0.05    -0.03   0.18   0.01
    16   1     0.02  -0.01  -0.17    -0.18  -0.22  -0.39     0.17   0.22   0.25
    17   1     0.04  -0.03  -0.14     0.21  -0.01   0.14    -0.23  -0.02  -0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0028              1009.1492              1041.5521
 Red. masses --      2.0132                 1.5815                 1.4190
 Frc consts  --      1.1885                 0.9489                 0.9070
 IR Inten    --      0.5174                 1.6717                 7.6697
 RamAct Fr= 1--      4.5187                 5.0611                 1.9590
  Dep-P Fr= 1--      0.3572                 0.7066                 0.3162
  Dep-U Fr= 1--      0.5263                 0.8281                 0.4805
 Alpha2 Fr= 1--      0.0388                 0.0038                 0.0191
 Beta2  Fr= 1--      0.3964                 0.6985                 0.1569
 AlphaG Fr= 1--     -0.1288                -0.0822                -0.0433
 Gamma2 Fr= 1--      0.4265                -0.6729                -0.1550
 Delta2 Fr= 1--      0.9015                -2.1032                 0.1328
 Raman1 Fr= 1--      18.075                 20.245                  7.836
 ROA1   Fr= 1--      69.796               -131.904                -10.625
 CID1   Fr= 1--       3.862                 -6.516                 -1.356
 Raman2 Fr= 1--       4.757                  8.382                  1.883
 ROA2   Fr= 1--       3.025                  0.675                 -4.782
 CID2   Fr= 1--       0.636                  0.080                 -2.540
 Raman3 Fr= 1--       9.514                 16.764                  3.765
 ROA3   Fr= 1--      69.796               -131.904                -10.625
 CID3   Fr= 1--       7.336                 -7.868                 -2.822
 RC180  Fr= 1--       0.053                  0.656                 -0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18   0.04  -0.03    -0.00  -0.01  -0.00     0.03   0.03  -0.01
     2   6    -0.03  -0.00  -0.05    -0.00   0.02  -0.04    -0.02  -0.07   0.02
     3   6     0.07  -0.06   0.05     0.04  -0.04   0.04     0.01   0.05   0.01
     4   6    -0.07   0.06  -0.00    -0.10  -0.04  -0.12     0.11   0.05  -0.03
     5   6    -0.17  -0.05   0.02     0.00   0.03  -0.01    -0.04  -0.04   0.01
     6   8    -0.01   0.01   0.01     0.01  -0.01   0.00    -0.01   0.01  -0.00
     7   1     0.21  -0.30  -0.06    -0.33   0.23   0.06    -0.11   0.04   0.01
     8   1     0.29   0.03  -0.27     0.21  -0.17  -0.09     0.24  -0.13  -0.11
     9   1     0.35  -0.09  -0.03    -0.31  -0.08   0.12    -0.20  -0.05   0.06
    10   1     0.04  -0.04  -0.01     0.44   0.00  -0.11    -0.15   0.06  -0.03
    11   1    -0.24   0.06  -0.14    -0.08   0.05  -0.10     0.42   0.17   0.23
    12   6     0.02   0.07   0.00     0.03   0.04   0.13    -0.09  -0.02   0.01
    13   1    -0.15  -0.26   0.10    -0.26  -0.18   0.10    -0.21  -0.19   0.09
    14   1    -0.29  -0.02   0.23     0.25   0.22  -0.15    -0.22  -0.18   0.10
    15   1    -0.07  -0.11  -0.08     0.18   0.09   0.24     0.25   0.12   0.26
    16   1    -0.09  -0.11  -0.03     0.05   0.03  -0.01    -0.01  -0.01  -0.35
    17   1     0.13   0.05   0.30     0.09   0.01   0.04     0.05  -0.08  -0.29
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1125.4793              1158.7767              1177.7807
 Red. masses --      1.4776                 4.1228                 1.3714
 Frc consts  --      1.1028                 3.2617                 1.1209
 IR Inten    --      1.1767                68.8361                 2.7027
 RamAct Fr= 1--      3.0365                 1.1478                 3.0223
  Dep-P Fr= 1--      0.6768                 0.7486                 0.7019
  Dep-U Fr= 1--      0.8072                 0.8562                 0.8248
 Alpha2 Fr= 1--      0.0039                 0.0000                 0.0025
 Beta2  Fr= 1--      0.4085                 0.1638                 0.4155
 AlphaG Fr= 1--      0.0166                 0.0014                 0.0268
 Gamma2 Fr= 1--      0.7018                -0.1338                -0.0878
 Delta2 Fr= 1--     -0.1445                 0.0286                -1.1140
 Raman1 Fr= 1--      12.146                  4.591                 12.089
 ROA1   Fr= 1--      62.748                -11.930                -44.082
 CID1   Fr= 1--       5.166                 -2.598                 -3.646
 Raman2 Fr= 1--       4.902                  1.965                  4.986
 ROA2   Fr= 1--      17.998                 -3.439                  6.804
 CID2   Fr= 1--       3.671                 -1.750                  1.365
 Raman3 Fr= 1--       9.805                  3.931                  9.972
 ROA3   Fr= 1--      62.748                -11.930                -44.082
 CID3   Fr= 1--       6.400                 -3.035                 -4.421
 RC180  Fr= 1--       0.614                  0.712                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.06    -0.02  -0.17   0.06    -0.04   0.03   0.09
     2   6     0.02   0.01   0.08     0.08   0.37  -0.19    -0.03  -0.06  -0.06
     3   6    -0.00  -0.04  -0.07    -0.08  -0.15   0.06    -0.05   0.05   0.01
     4   6    -0.04   0.09   0.00     0.13   0.00  -0.01    -0.00  -0.05   0.01
     5   6     0.01  -0.02   0.07    -0.08   0.05   0.04     0.04   0.04  -0.04
     6   8    -0.00  -0.00  -0.01    -0.01  -0.06   0.03     0.04  -0.00   0.00
     7   1    -0.01   0.15  -0.05     0.34  -0.25   0.00     0.08  -0.24   0.05
     8   1     0.12  -0.18   0.06     0.06  -0.24   0.06     0.10  -0.05  -0.07
     9   1     0.16   0.15  -0.10    -0.32   0.05   0.12    -0.19  -0.01   0.04
    10   1     0.23  -0.08   0.06    -0.09  -0.17   0.14     0.53   0.11  -0.21
    11   1    -0.23   0.54  -0.08     0.09   0.45   0.03    -0.12   0.28  -0.03
    12   6     0.04  -0.09   0.00    -0.04  -0.02  -0.00     0.01   0.01  -0.01
    13   1    -0.20   0.04   0.07     0.10   0.06   0.01     0.24   0.10  -0.10
    14   1    -0.14  -0.25  -0.01    -0.09   0.07   0.08    -0.43  -0.30   0.23
    15   1    -0.08   0.16  -0.05     0.06   0.04   0.07    -0.02  -0.03  -0.02
    16   1     0.16   0.19   0.27     0.01   0.01  -0.12    -0.02  -0.02   0.01
    17   1    -0.23  -0.02  -0.25     0.01  -0.04  -0.17     0.02   0.01   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1207.7679              1232.0784              1271.6531
 Red. masses --      1.5472                 1.5780                 1.5963
 Frc consts  --      1.3297                 1.4114                 1.5209
 IR Inten    --      0.2948                 1.2052                 2.3007
 RamAct Fr= 1--      1.5543                 2.4158                 1.9197
  Dep-P Fr= 1--      0.5560                 0.6436                 0.7397
  Dep-U Fr= 1--      0.7147                 0.7832                 0.8504
 Alpha2 Fr= 1--      0.0057                 0.0046                 0.0003
 Beta2  Fr= 1--      0.1851                 0.3153                 0.2721
 AlphaG Fr= 1--      0.0095                 0.0395                -0.0078
 Gamma2 Fr= 1--      1.6802                 1.0290                -1.4301
 Delta2 Fr= 1--      0.7863                 0.2178                -0.3412
 Raman1 Fr= 1--       6.217                  9.663                  7.679
 ROA1   Fr= 1--     186.464                105.757               -148.210
 CID1   Fr= 1--      29.992                 10.944                -19.302
 Raman2 Fr= 1--       2.222                  3.784                  3.265
 ROA2   Fr= 1--      34.035                 22.954                -31.594
 CID2   Fr= 1--      15.320                  6.066                 -9.677
 Raman3 Fr= 1--       4.443                  7.568                  6.530
 ROA3   Fr= 1--     186.464                105.757               -148.210
 CID3   Fr= 1--      41.966                 13.975                -22.698
 RC180  Fr= 1--       0.429                  0.566                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.02    -0.08   0.01  -0.01    -0.07   0.08   0.04
     2   6     0.04   0.05   0.07     0.03   0.02   0.04    -0.00   0.02  -0.02
     3   6    -0.04  -0.00  -0.04    -0.04   0.03   0.03     0.16  -0.00  -0.03
     4   6     0.01  -0.06   0.11     0.01  -0.11  -0.11    -0.08   0.04  -0.02
     5   6    -0.00   0.00  -0.11     0.07   0.04   0.03     0.03  -0.05  -0.01
     6   8     0.01  -0.02  -0.01     0.01  -0.01  -0.01    -0.01  -0.01   0.01
     7   1    -0.37   0.23   0.08     0.20  -0.11  -0.05     0.09  -0.19   0.01
     8   1     0.49  -0.43  -0.10     0.13  -0.20   0.05     0.35  -0.27  -0.07
     9   1     0.10   0.08  -0.07     0.64  -0.02  -0.15    -0.40  -0.07   0.11
    10   1    -0.09  -0.04   0.10    -0.31   0.05  -0.01    -0.50  -0.05   0.14
    11   1     0.04   0.10   0.15    -0.20   0.05  -0.26    -0.17  -0.14  -0.11
    12   6     0.02   0.05  -0.06    -0.05   0.04   0.06     0.02  -0.02   0.02
    13   1    -0.02  -0.28   0.01    -0.07   0.04   0.04     0.26   0.21  -0.15
    14   1    -0.03   0.12   0.09    -0.09  -0.19  -0.03    -0.06  -0.14   0.01
    15   1    -0.11  -0.16  -0.18     0.19   0.00   0.23    -0.01   0.08   0.02
    16   1    -0.10  -0.12   0.02    -0.04  -0.04  -0.16     0.05   0.04   0.06
    17   1     0.05   0.05   0.19     0.16  -0.02   0.02    -0.08   0.00  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1298.8588              1325.6269              1351.7081
 Red. masses --      1.2581                 1.5699                 1.4864
 Frc consts  --      1.2505                 1.6254                 1.6001
 IR Inten    --      3.2683                 1.3102                 2.2691
 RamAct Fr= 1--      4.3099                 2.1585                 1.4200
  Dep-P Fr= 1--      0.6918                 0.6873                 0.7192
  Dep-U Fr= 1--      0.8179                 0.8147                 0.8366
 Alpha2 Fr= 1--      0.0044                 0.0024                 0.0008
 Beta2  Fr= 1--      0.5875                 0.2931                 0.1980
 AlphaG Fr= 1--     -0.0274                 0.0099                -0.0030
 Gamma2 Fr= 1--      2.7694                 2.0127                -0.7933
 Delta2 Fr= 1--      0.5670                 1.6655                -0.7096
 Raman1 Fr= 1--      17.240                  8.634                  5.680
 ROA1   Fr= 1--     284.010                246.511                -98.867
 CID1   Fr= 1--      16.474                 28.551                -17.406
 Raman2 Fr= 1--       7.050                  3.517                  2.376
 ROA2   Fr= 1--      61.930                 34.980                -13.363
 CID2   Fr= 1--       8.785                  9.946                 -5.624
 Raman3 Fr= 1--      14.099                  7.034                  4.752
 ROA3   Fr= 1--     284.010                246.511                -98.867
 CID3   Fr= 1--      20.143                 35.047                -20.804
 RC180  Fr= 1--       0.636                  0.629                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.08  -0.03     0.05  -0.07  -0.02     0.02   0.04  -0.01
     2   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.00    -0.01  -0.05   0.03
     3   6    -0.00   0.01  -0.00     0.11   0.04  -0.05     0.00   0.03  -0.02
     4   6    -0.01  -0.02   0.03    -0.01  -0.12   0.03     0.07  -0.09  -0.00
     5   6     0.02  -0.01   0.04     0.04   0.09  -0.00    -0.12  -0.07   0.06
     6   8     0.02  -0.00   0.00    -0.02   0.01   0.01     0.00   0.01  -0.01
     7   1     0.52  -0.37  -0.14    -0.03   0.12   0.00    -0.06   0.04  -0.00
     8   1     0.09  -0.11   0.03    -0.31   0.24   0.05     0.08   0.00  -0.04
     9   1    -0.12  -0.02   0.03    -0.32  -0.07   0.06    -0.05   0.03  -0.01
    10   1     0.09   0.02  -0.02    -0.38  -0.01   0.12    -0.02   0.04  -0.03
    11   1     0.16   0.19   0.20    -0.22   0.48  -0.03    -0.18   0.54  -0.11
    12   6     0.02   0.01  -0.03     0.01   0.04  -0.00    -0.03   0.02  -0.01
    13   1    -0.39  -0.19   0.17    -0.28  -0.18   0.15     0.39   0.36  -0.18
    14   1     0.32   0.16  -0.18    -0.19  -0.11   0.08     0.35   0.34  -0.13
    15   1    -0.06  -0.06  -0.10    -0.02  -0.13  -0.05     0.09  -0.05   0.07
    16   1    -0.03  -0.04   0.05    -0.09  -0.11  -0.01    -0.02   0.01   0.00
    17   1    -0.01   0.03   0.08     0.02   0.03   0.03     0.11  -0.02   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1379.5282              1417.5538              1450.2102
 Red. masses --      1.3990                 1.2423                 1.0847
 Frc consts  --      1.5687                 1.4708                 1.3441
 IR Inten    --      2.2093                 6.3178                18.4319
 RamAct Fr= 1--      1.7508                 0.6020                 2.7370
  Dep-P Fr= 1--      0.7005                 0.6484                 0.7255
  Dep-U Fr= 1--      0.8239                 0.7867                 0.8409
 Alpha2 Fr= 1--      0.0015                 0.0011                 0.0012
 Beta2  Fr= 1--      0.2404                 0.0789                 0.3836
 AlphaG Fr= 1--     -0.0103                -0.0037                 0.0179
 Gamma2 Fr= 1--      0.0430                 0.1359                -0.0309
 Delta2 Fr= 1--      0.1041                -0.0935                 0.4939
 Raman1 Fr= 1--       7.003                  2.408                 10.948
 ROA1   Fr= 1--       7.456                 10.053                 12.841
 CID1   Fr= 1--       1.065                  4.175                  1.173
 Raman2 Fr= 1--       2.885                  0.947                  4.603
 ROA2   Fr= 1--       0.198                  4.009                 -4.692
 CID2   Fr= 1--       0.069                  4.232                 -1.019
 Raman3 Fr= 1--       5.770                  1.894                  9.206
 ROA3   Fr= 1--       7.456                 10.053                 12.841
 CID3   Fr= 1--       1.292                  5.307                  1.395
 RC180  Fr= 1--       0.648                  0.573                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.01    -0.01  -0.01   0.01    -0.02  -0.02   0.01
     2   6     0.00   0.01   0.00    -0.00   0.00  -0.01     0.00  -0.01   0.01
     3   6     0.01  -0.00   0.03     0.00   0.01  -0.01     0.02  -0.06   0.04
     4   6    -0.12  -0.05  -0.11     0.02   0.01   0.03    -0.00  -0.01   0.01
     5   6    -0.01   0.00   0.03     0.01   0.01  -0.01     0.01  -0.00  -0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.03   0.08   0.02     0.06   0.05  -0.00     0.16   0.20  -0.00
     8   1    -0.01   0.03  -0.05    -0.01   0.02  -0.08     0.02   0.06  -0.24
     9   1     0.18  -0.10  -0.02    -0.06  -0.10   0.01    -0.04   0.64   0.04
    10   1    -0.12  -0.01   0.04     0.02  -0.04   0.11    -0.20   0.17  -0.60
    11   1     0.60   0.26   0.51    -0.09  -0.06  -0.06    -0.01   0.01   0.01
    12   6     0.05   0.01  -0.04    -0.07  -0.04  -0.11     0.00  -0.00  -0.02
    13   1     0.16   0.23  -0.08    -0.09  -0.06   0.03    -0.05   0.02   0.00
    14   1    -0.10  -0.09   0.04    -0.03   0.00   0.04    -0.00   0.02   0.04
    15   1     0.02   0.02  -0.04     0.42   0.20   0.30     0.05   0.07   0.03
    16   1     0.00   0.01   0.23     0.10   0.34   0.42    -0.02  -0.03   0.03
    17   1    -0.03   0.05   0.21     0.25  -0.08   0.49    -0.06   0.02   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1455.8960              1497.5749              1500.7747
 Red. masses --      1.0839                 1.0578                 1.0574
 Frc consts  --      1.3536                 1.3977                 1.4033
 IR Inten    --      4.0481                 6.7821                 1.4609
 RamAct Fr= 1--      9.9777                 6.2326                 6.8440
  Dep-P Fr= 1--      0.6319                 0.7396                 0.7303
  Dep-U Fr= 1--      0.7744                 0.8503                 0.8442
 Alpha2 Fr= 1--      0.0214                 0.0011                 0.0023
 Beta2  Fr= 1--      1.2878                 0.8833                 0.9629
 AlphaG Fr= 1--      0.0690                -0.0033                -0.0063
 Gamma2 Fr= 1--     -1.2932                 0.5474                -0.5203
 Delta2 Fr= 1--      1.0331                 0.0975                -1.5365
 Raman1 Fr= 1--      39.911                 24.930                 27.376
 ROA1   Fr= 1--     -91.092                 55.669                -99.115
 CID1   Fr= 1--      -2.282                  2.233                 -3.621
 Raman2 Fr= 1--      15.454                 10.600                 11.555
 ROA2   Fr= 1--     -39.303                 12.357                 -0.194
 CID2   Fr= 1--      -2.543                  1.166                 -0.017
 Raman3 Fr= 1--      30.908                 21.199                 23.110
 ROA3   Fr= 1--     -91.092                 55.669                -99.115
 CID3   Fr= 1--      -2.947                  2.626                 -4.289
 RC180  Fr= 1--       0.549                  0.701                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.04  -0.05     0.00   0.01  -0.00     0.01   0.01  -0.01
     2   6     0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.01  -0.02   0.02    -0.00  -0.01   0.00    -0.00   0.01  -0.00
     4   6    -0.01  -0.01  -0.00     0.01   0.02  -0.00     0.02  -0.02   0.00
     5   6     0.01   0.00  -0.01    -0.02   0.03   0.02    -0.02   0.03   0.01
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.43  -0.47  -0.00    -0.04  -0.05  -0.00    -0.07  -0.07  -0.00
     8   1    -0.05  -0.15   0.63     0.00  -0.01   0.06    -0.01  -0.02   0.09
     9   1    -0.02   0.22   0.02    -0.01   0.03   0.00     0.00  -0.02  -0.00
    10   1    -0.08   0.06  -0.22     0.02   0.00  -0.03    -0.00   0.00   0.02
    11   1     0.02   0.02   0.03    -0.01  -0.04  -0.03    -0.03   0.04  -0.03
    12   6    -0.01  -0.00  -0.02     0.01   0.03  -0.03     0.03  -0.04  -0.01
    13   1    -0.11   0.08  -0.02     0.26  -0.25   0.07     0.16  -0.17   0.05
    14   1    -0.04   0.06   0.12     0.02  -0.19  -0.31     0.03  -0.10  -0.20
    15   1     0.06  -0.01   0.03     0.36  -0.26   0.21    -0.05   0.62   0.03
    16   1     0.02   0.06   0.08    -0.30  -0.33   0.39    -0.03  -0.18  -0.31
    17   1     0.07  -0.02   0.05    -0.28   0.09  -0.19    -0.40   0.12   0.42
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1508.0082              1814.6054              3025.7798
 Red. masses --      1.0740                12.5848                 1.0479
 Frc consts  --      1.4391                24.4152                 5.6524
 IR Inten    --      5.9995               258.7535                27.5647
 RamAct Fr= 1--      2.5788                17.5413                38.2946
  Dep-P Fr= 1--      0.5534                 0.4775                 0.3707
  Dep-U Fr= 1--      0.7125                 0.6464                 0.5409
 Alpha2 Fr= 1--      0.0097                 0.0958                 0.3140
 Beta2  Fr= 1--      0.3062                 1.8898                 3.4521
 AlphaG Fr= 1--     -0.0058                 0.4447                 0.2596
 Gamma2 Fr= 1--     -0.1649                 4.4401                 1.5402
 Delta2 Fr= 1--      0.3067                 0.6897                 0.7512
 Raman1 Fr= 1--      10.315                 70.165                153.178
 ROA1   Fr= 1--      -6.016                448.322                171.898
 CID1   Fr= 1--      -0.583                  6.390                  1.122
 Raman2 Fr= 1--       3.675                 22.677                 41.425
 ROA2   Fr= 1--      -6.410                101.045                 30.956
 CID2   Fr= 1--      -1.744                  4.456                  0.747
 Raman3 Fr= 1--       7.350                 45.354                 82.850
 ROA3   Fr= 1--      -6.016                448.322                171.898
 CID3   Fr= 1--      -0.819                  9.885                  2.075
 RC180  Fr= 1--       0.425                  0.293                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.01   0.01     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.00     0.75  -0.26  -0.20     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00    -0.04   0.01   0.01    -0.01   0.01  -0.04
     4   6     0.02   0.00  -0.01    -0.02   0.01   0.01    -0.01  -0.00   0.01
     5   6     0.03  -0.05  -0.02    -0.02   0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.49   0.17   0.13    -0.00   0.00   0.00
     7   1     0.03   0.03  -0.00     0.03  -0.04   0.00    -0.01   0.01  -0.10
     8   1    -0.00   0.00  -0.04     0.10  -0.09  -0.01     0.01   0.01   0.01
     9   1     0.02  -0.10  -0.01     0.01   0.00  -0.01     0.13   0.00   0.52
    10   1     0.04  -0.02   0.09     0.15   0.02  -0.06    -0.01  -0.16  -0.07
    11   1    -0.04  -0.03  -0.07    -0.02  -0.00   0.02     0.11   0.02  -0.14
    12   6     0.03   0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.04
    13   1    -0.36   0.37  -0.11     0.03  -0.00   0.00     0.01   0.03   0.08
    14   1    -0.01   0.28   0.44    -0.02   0.02  -0.00    -0.03   0.02  -0.02
    15   1     0.20   0.08   0.14    -0.01  -0.02  -0.01    -0.33  -0.06   0.43
    16   1    -0.23  -0.34   0.09     0.00   0.01   0.02     0.34  -0.23   0.05
    17   1    -0.39   0.12   0.01     0.01  -0.00  -0.01     0.11   0.38  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3028.0990              3039.1426              3046.6239
 Red. masses --      1.0572                 1.0685                 1.0652
 Frc consts  --      5.7113                 5.8149                 5.8255
 IR Inten    --      5.0903                13.8120                13.2455
 RamAct Fr= 1--    176.9209               117.2399                87.7857
  Dep-P Fr= 1--      0.0349                 0.1643                 0.1155
  Dep-U Fr= 1--      0.0675                 0.2823                 0.2071
 Alpha2 Fr= 1--      3.6222                 1.7473                 1.4795
 Beta2  Fr= 1--      1.9891                 5.5161                 3.0298
 AlphaG Fr= 1--     -1.0600                -0.8006                -0.8740
 Gamma2 Fr= 1--      9.2931                -6.6246                -4.1626
 Delta2 Fr= 1--     -1.3937                -0.3101                -2.5958
 Raman1 Fr= 1--     707.683                468.960                351.143
 ROA1   Fr= 1--     847.535               -645.883               -482.676
 CID1   Fr= 1--       1.198                 -1.377                 -1.375
 Raman2 Fr= 1--      23.869                 66.193                 36.358
 ROA2   Fr= 1--     234.183               -156.509                -79.136
 CID2   Fr= 1--       9.811                 -2.364                 -2.177
 Raman3 Fr= 1--      47.739                132.386                 72.715
 ROA3   Fr= 1--     847.535               -645.883               -482.676
 CID3   Fr= 1--      17.754                 -4.879                 -6.638
 RC180  Fr= 1--      -0.865                 -0.435                 -0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.02     0.01   0.02  -0.06
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.02   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.00   0.01    -0.02  -0.00   0.02    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.01  -0.04  -0.05     0.01  -0.02  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1     0.01  -0.01   0.08    -0.03   0.02  -0.22     0.12  -0.05   0.88
     8   1    -0.02  -0.02  -0.01    -0.01  -0.02  -0.00    -0.22  -0.24  -0.11
     9   1     0.19  -0.00   0.73    -0.02  -0.00  -0.07    -0.00   0.00  -0.02
    10   1    -0.01  -0.20  -0.08     0.00   0.03   0.01    -0.00  -0.01  -0.00
    11   1     0.08   0.02  -0.10     0.23   0.04  -0.29     0.02   0.00  -0.02
    12   6     0.01   0.01   0.03     0.01   0.00   0.00    -0.01  -0.00  -0.00
    13   1    -0.01  -0.02  -0.06     0.12   0.28   0.75     0.02   0.05   0.14
    14   1     0.02  -0.02   0.02    -0.23   0.18  -0.17    -0.16   0.14  -0.11
    15   1     0.23   0.04  -0.30     0.02   0.00  -0.03    -0.01  -0.00   0.01
    16   1    -0.27   0.18  -0.04    -0.10   0.07  -0.02     0.08  -0.05   0.01
    17   1    -0.08  -0.30   0.03    -0.03  -0.13   0.01     0.02   0.07  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3057.0778              3087.3755              3088.0415
 Red. masses --      1.0835                 1.0983                 1.0990
 Frc consts  --      5.9664                 6.1680                 6.1746
 IR Inten    --     24.2966                13.0036                52.9738
 RamAct Fr= 1--    228.8963                68.4161                55.8312
  Dep-P Fr= 1--      0.1587                 0.2851                 0.2137
  Dep-U Fr= 1--      0.2739                 0.4437                 0.3522
 Alpha2 Fr= 1--      3.4612                 0.7333                 0.7309
 Beta2  Fr= 1--     10.4486                 5.0594                 3.2774
 AlphaG Fr= 1--      0.7275                 0.4083                 0.4869
 Gamma2 Fr= 1--     12.2937                18.2167                -0.6184
 Delta2 Fr= 1--      7.5688                12.4093                -0.1834
 Raman1 Fr= 1--     915.585                273.664                223.325
 ROA1   Fr= 1--    1422.400               2145.895                -65.239
 CID1   Fr= 1--       1.554                  7.841                 -0.292
 Raman2 Fr= 1--     125.384                 60.712                 39.329
 ROA2   Fr= 1--     234.499                337.926                -13.376
 CID2   Fr= 1--       1.870                  5.566                 -0.340
 Raman3 Fr= 1--     250.767                121.424                 78.658
 ROA3   Fr= 1--    1422.400               2145.895                -65.239
 CID3   Fr= 1--       5.672                 17.673                 -0.829
 RC180  Fr= 1--      -0.452                 -0.113                 -0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02   0.02   0.00     0.00   0.01   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01  -0.01     0.00   0.01   0.00    -0.00   0.00  -0.00
     4   6     0.04   0.01  -0.05     0.00   0.00  -0.00     0.02   0.00  -0.02
     5   6     0.01  -0.02  -0.02    -0.05   0.03  -0.06     0.01  -0.01   0.00
     6   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   1    -0.01   0.01  -0.11     0.01   0.00   0.05     0.00   0.00   0.01
     8   1    -0.01  -0.01  -0.00    -0.21  -0.23  -0.09    -0.06  -0.07  -0.03
     9   1     0.05  -0.00   0.19    -0.00   0.00  -0.02     0.01  -0.00   0.03
    10   1     0.00  -0.06  -0.02    -0.00  -0.08  -0.03     0.00  -0.02  -0.01
    11   1    -0.51  -0.10   0.64    -0.03  -0.01   0.04    -0.20  -0.04   0.26
    12   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.07   0.03  -0.04
    13   1     0.05   0.12   0.32     0.04   0.13   0.32     0.00  -0.00  -0.00
    14   1    -0.12   0.10  -0.09     0.56  -0.48   0.37    -0.08   0.07  -0.05
    15   1     0.14   0.03  -0.19    -0.04  -0.01   0.06    -0.41  -0.07   0.55
    16   1     0.12  -0.09   0.02    -0.18   0.12  -0.03    -0.30   0.22  -0.07
    17   1     0.03   0.15  -0.01     0.05   0.16  -0.01    -0.12  -0.47   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3094.0581              3100.3022              3102.9851
 Red. masses --      1.1014                 1.0945                 1.0981
 Frc consts  --      6.2123                 6.1983                 6.2293
 IR Inten    --     30.2300                17.0876                13.8814
 RamAct Fr= 1--     86.8006                89.3025               114.9992
  Dep-P Fr= 1--      0.5782                 0.4578                 0.4553
  Dep-U Fr= 1--      0.7327                 0.6281                 0.6257
 Alpha2 Fr= 1--      0.2800                 0.5303                 0.6899
 Beta2  Fr= 1--     10.6000                 9.3481                11.9934
 AlphaG Fr= 1--      0.5570                 0.5365                 0.7093
 Gamma2 Fr= 1--    -13.4750                 2.8034               -20.8750
 Delta2 Fr= 1--     -8.5633                 7.1472               -12.8065
 Raman1 Fr= 1--     347.203                357.210                459.997
 ROA1   Fr= 1--   -1567.624                497.836              -2413.807
 CID1   Fr= 1--      -4.515                  1.394                 -5.247
 Raman2 Fr= 1--     127.200                112.178                143.921
 ROA2   Fr= 1--    -254.893                 10.104               -398.547
 CID2   Fr= 1--      -2.004                  0.090                 -2.769
 Raman3 Fr= 1--     254.399                224.355                287.841
 ROA3   Fr= 1--   -1567.624                497.836              -2413.807
 CID3   Fr= 1--      -6.162                  2.219                 -8.386
 RC180  Fr= 1--       0.465                  0.256                  0.251
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.05  -0.05  -0.05
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.02   0.01    -0.01  -0.07  -0.04    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.01   0.00  -0.03
     6   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   1     0.00  -0.00   0.02     0.00  -0.00   0.03     0.04  -0.04   0.34
     8   1     0.08   0.09   0.03     0.02   0.03   0.01     0.56   0.62   0.23
     9   1    -0.01   0.00  -0.05     0.06  -0.02   0.25     0.00   0.00   0.00
    10   1    -0.01  -0.19  -0.06     0.01   0.89   0.29    -0.00  -0.05  -0.01
    11   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02    -0.03  -0.01   0.04
    12   6     0.03  -0.08   0.01     0.01  -0.02   0.00     0.00   0.01  -0.01
    13   1    -0.01  -0.03  -0.08     0.00   0.01   0.02     0.03   0.08   0.21
    14   1    -0.17   0.15  -0.11     0.02  -0.01   0.01     0.15  -0.13   0.10
    15   1    -0.02  -0.02   0.04    -0.02  -0.01   0.03    -0.04  -0.01   0.06
    16   1    -0.56   0.36  -0.10    -0.13   0.09  -0.02     0.01  -0.00   0.00
    17   1     0.18   0.60  -0.04     0.04   0.14  -0.01    -0.02  -0.08   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   407.55100 818.49953 979.10228
           X            0.99920   0.03498   0.01957
           Y           -0.03481   0.99936  -0.00855
           Z           -0.01986   0.00787   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21252     0.10582     0.08846
 Rotational constants (GHZ):           4.42826     2.20494     1.84326
 Zero-point vibrational energy     391322.0 (Joules/Mol)
                                   93.52821 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    106.19   249.49   339.43   504.32   529.20
          (Kelvin)            662.02   685.23   840.61   966.52  1061.05
                             1144.51  1172.27  1275.73  1346.17  1388.39
                             1440.22  1451.94  1498.56  1619.31  1667.22
                             1694.56  1737.71  1772.69  1829.63  1868.77
                             1907.28  1944.81  1984.83  2039.54  2086.53
                             2094.71  2154.68  2159.28  2169.69  2610.81
                             4353.42  4356.76  4372.65  4383.41  4398.45
                             4442.04  4443.00  4451.66  4460.64  4464.50
 
 Zero-point correction=                           0.149047 (Hartree/Particle)
 Thermal correction to Energy=                    0.155949
 Thermal correction to Enthalpy=                  0.156893
 Thermal correction to Gibbs Free Energy=         0.118158
 Sum of electronic and zero-point Energies=           -309.885082
 Sum of electronic and thermal Energies=              -309.878180
 Sum of electronic and thermal Enthalpies=            -309.877235
 Sum of electronic and thermal Free Energies=         -309.915970
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.859             26.109             81.525
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.282
 Vibrational             96.082             20.148             14.583
 Vibration     1          0.599              1.966              4.049
 Vibration     2          0.627              1.875              2.398
 Vibration     3          0.655              1.786              1.833
 Vibration     4          0.727              1.574              1.164
 Vibration     5          0.740              1.538              1.089
 Vibration     6          0.818              1.338              0.766
 Vibration     7          0.833              1.303              0.720
 Vibration     8          0.941              1.065              0.478
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.447884D-54        -54.348835       -125.142816
 Total V=0       0.161369D+15         14.207820         32.714714
 Vib (Bot)       0.573491D-67        -67.241474       -154.829215
 Vib (Bot)    1  0.279281D+01          0.446041          1.027048
 Vib (Bot)    2  0.116085D+01          0.064775          0.149150
 Vib (Bot)    3  0.832684D+00         -0.079520         -0.183101
 Vib (Bot)    4  0.526178D+00         -0.278867         -0.642115
 Vib (Bot)    5  0.495720D+00         -0.304763         -0.701743
 Vib (Bot)    6  0.369614D+00         -0.432252         -0.995297
 Vib (Bot)    7  0.352291D+00         -0.453098         -1.043297
 Vib (Bot)    8  0.259703D+00         -0.585524         -1.348218
 Vib (V=0)       0.206624D+02          1.315181          3.028316
 Vib (V=0)    1  0.333721D+01          0.523384          1.205137
 Vib (V=0)    2  0.176395D+01          0.246486          0.567555
 Vib (V=0)    3  0.147127D+01          0.167692          0.386125
 Vib (V=0)    4  0.122585D+01          0.088439          0.203637
 Vib (V=0)    5  0.120409D+01          0.080658          0.185722
 Vib (V=0)    6  0.112178D+01          0.049909          0.114920
 Vib (V=0)    7  0.111164D+01          0.045966          0.105840
 Vib (V=0)    8  0.106342D+01          0.026706          0.061493
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.204578D+06          5.310860         12.228707
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016224    0.000001202    0.000001497
      2        6           0.000018832    0.000000088   -0.000012141
      3        6          -0.000004367    0.000006677    0.000011464
      4        6          -0.000023503   -0.000003123   -0.000038861
      5        6          -0.000030882   -0.000017336    0.000016957
      6        8           0.000002542   -0.000000148   -0.000004366
      7        1           0.000003017    0.000006951    0.000001161
      8        1          -0.000000167    0.000000160   -0.000003286
      9        1           0.000000701    0.000004477   -0.000001162
     10        1           0.000002162   -0.000001163    0.000001000
     11        1           0.000002526    0.000000452    0.000001521
     12        6           0.000001922   -0.000007885   -0.000003620
     13        1           0.000001264    0.000003063   -0.000000299
     14        1           0.000000765   -0.000004508    0.000002453
     15        1           0.000006280    0.000008259    0.000018364
     16        1           0.000000289    0.000001524    0.000003994
     17        1           0.000002395    0.000001310    0.000005324
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000038861 RMS     0.000010220
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.807178D+02 -0.102300D+01 -0.150980D+01
      2  -0.102300D+01  0.733007D+02 -0.128042D+01
      3  -0.150980D+01 -0.128042D+01  0.653264D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.288096D+01  0.192633D+00 -0.215240D+01
      2  -0.869781D+01 -0.248439D+01 -0.181178D+02
      3   0.570274D+01  0.149064D+02  0.216247D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.200753D+02 -0.165035D+02 -0.243660D+02
      2   0.104933D+02  0.143904D+02  0.896952D+01
      3   0.958203D+01  0.211313D+01  0.153965D+02
      4  -0.840126D+01 -0.294082D+02 -0.699522D+01
      5  -0.209567D+02 -0.506276D+01 -0.380296D+02
      6   0.463586D+00  0.202355D+01  0.597935D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.689271D-01 -0.199450D+01 -0.144469D+01 -0.187980D+01 -0.359882D+01
      2  -0.199450D+01 -0.511612D+01  0.282706D+00 -0.359882D+01 -0.250848D+00
      3  -0.144469D+01  0.282706D+00  0.501255D+00  0.311192D-01 -0.105234D+01
                 6             7             8             9            10 
      1   0.311192D-01 -0.125600D+01 -0.117143D+01  0.963444D+00 -0.569440D+01
      2  -0.105234D+01 -0.117143D+01 -0.201025D+00 -0.101548D+01  0.350266D+01
      3  -0.371951D+00  0.963444D+00 -0.101548D+01  0.528961D+01  0.101433D+01
                11            12            13            14            15 
      1   0.350266D+01  0.101433D+01  0.283386D+01  0.538774D+00 -0.660242D+00
      2   0.309210D+01 -0.190235D+01  0.538774D+00 -0.233274D+01  0.395139D+00
      3  -0.190235D+01  0.356914D+00 -0.660242D+00  0.395139D+00  0.383414D+00
                16            17            18            19            20 
      1   0.135449D+01 -0.775903D+00 -0.397495D+00  0.983122D+00 -0.280052D+01
      2  -0.775903D+00 -0.694217D+00  0.669559D+00 -0.280052D+01 -0.100146D+01
      3  -0.397495D+00  0.669559D+00  0.771690D-01  0.128981D+01  0.967492D+00
                21            22            23            24            25 
      1   0.128981D+01 -0.185229D+01  0.105668D+00  0.261648D+00 -0.557769D+00
      2   0.967492D+00  0.105668D+00  0.623890D+01  0.136436D+01  0.392068D+00
      3  -0.266385D+01  0.261648D+00  0.136436D+01 -0.194906D+00 -0.165060D+01
                26            27            28            29            30 
      1   0.392068D+00 -0.165060D+01 -0.113575D+01  0.230368D+01 -0.230575D+01
      2   0.225452D+01  0.396175D+00  0.230368D+01 -0.278090D+01  0.832592D+00
      3   0.396175D+00 -0.559604D+01 -0.230575D+01  0.832592D+00  0.413044D+01
                31            32            33            34            35 
      1   0.198310D+01 -0.232290D+01  0.774170D+00 -0.209097D+01  0.599144D+00
      2  -0.232290D+01 -0.488019D+01 -0.758408D+00  0.599144D+00  0.309772D+00
      3   0.774170D+00 -0.758408D+00  0.179523D+01  0.472689D+01  0.188910D+01
                36            37            38            39            40 
      1   0.472689D+01  0.283407D+00 -0.158180D+01  0.249679D+01 -0.775520D+00
      2   0.188910D+01 -0.158180D+01  0.346870D+01 -0.107418D+01  0.357391D+01
      3  -0.563574D+00  0.249679D+01 -0.107418D+01 -0.125350D+01 -0.127281D+01
                41            42            43            44            45 
      1   0.357391D+01 -0.127281D+01  0.268127D+01 -0.180374D+01 -0.947834D+00
      2   0.216623D+01  0.143102D+00 -0.180374D+01 -0.160906D+00 -0.330702D+01
      3   0.143102D+00 -0.239754D+01 -0.947834D+00 -0.330702D+01 -0.487693D+01
                46            47            48            49            50 
      1   0.149430D+02 -0.344663D+01 -0.200291D+01 -0.301969D+01  0.381742D+01
      2  -0.344663D+01  0.147695D+01  0.904615D+00  0.381742D+01 -0.239327D+01
      3  -0.200291D+01  0.904615D+00  0.171203D+01  0.617989D+00 -0.107140D+01
                51            52            53            54            55 
      1   0.617989D+00 -0.212018D+01  0.608479D+00  0.377588D+01 -0.633661D+00
      2  -0.107140D+01  0.608479D+00 -0.400964D+00 -0.145683D+01  0.537282D+00
      3  -0.776776D+00  0.377588D+01 -0.145683D+01 -0.197642D+01 -0.100773D+01
                56            57            58            59            60 
      1   0.537282D+00 -0.100773D+01  0.201531D+00  0.308024D+00  0.787941D-01
      2   0.514824D+00 -0.554798D-01  0.308024D+00  0.869225D+00 -0.112049D+01
      3  -0.554798D-01 -0.351261D+00  0.787941D-01 -0.112049D+01  0.654309D+00
                61            62            63            64            65 
      1  -0.156276D+01  0.292655D+00 -0.122588D+00  0.429310D+01  0.324148D+01
      2   0.292655D+00 -0.215119D+01  0.212738D+01  0.324148D+01  0.425952D+01
      3  -0.122588D+00  0.212738D+01 -0.815295D+01  0.370250D+00  0.496244D-01
                66            67            68            69            70 
      1   0.370250D+00  0.272498D+01  0.306216D+01  0.861037D-01  0.108303D+01
      2   0.496244D-01  0.306216D+01  0.607885D+01  0.526589D+00  0.808987D+00
      3   0.624704D+00  0.861037D-01  0.526589D+00  0.942635D+00  0.570438D+00
                71            72            73            74            75 
      1   0.808987D+00  0.570438D+00  0.920044D+00  0.773424D-01  0.147029D+01
      2   0.118772D+01  0.131021D+01  0.773424D-01  0.543490D+00 -0.718370D+00
      3   0.131021D+01 -0.591520D-02  0.147029D+01 -0.718370D+00  0.206828D+01
                76            77            78            79            80 
      1   0.469534D+00  0.180181D+00 -0.161333D+00  0.221660D+01 -0.300788D+00
      2   0.180181D+00 -0.104463D+01  0.121413D+01 -0.300788D+00  0.138873D+01
      3  -0.161333D+00  0.121413D+01 -0.353041D+00  0.145414D+01 -0.175036D+01
                81            82            83            84            85 
      1   0.145414D+01 -0.105679D+00 -0.107163D+01 -0.446368D+00 -0.157282D+01
      2  -0.175036D+01 -0.107163D+01  0.349785D+00 -0.163891D+00 -0.304332D-01
      3   0.933940D+01 -0.446368D+00 -0.163891D+00  0.252962D+00 -0.881278D-01
                86            87            88            89            90 
      1  -0.304332D-01 -0.881278D-01 -0.584683D+00  0.919271D-01  0.844947D-01
      2  -0.936505D+01 -0.380533D+00  0.919271D-01 -0.222840D+01 -0.136058D+01
      3  -0.380533D+00 -0.122940D+01  0.844947D-01 -0.136058D+01  0.160510D+00
                91            92            93            94            95 
      1  -0.499103D+01 -0.100484D+01  0.298933D+01 -0.736850D+00 -0.849824D+00
      2  -0.100484D+01 -0.685281D+00  0.204360D+00 -0.849824D+00 -0.849978D-01
      3   0.298933D+01  0.204360D+00 -0.340059D+01  0.182150D+00  0.117821D+01
                96            97            98            99           100 
      1   0.182150D+00  0.322820D+01  0.395682D+00 -0.361229D+01  0.348880D+01
      2   0.117821D+01  0.395682D+00  0.101323D+01 -0.851042D+00 -0.249172D+01
      3  -0.817289D+00 -0.361229D+01 -0.851042D+00  0.543466D+01  0.188946D+01
               101           102           103           104           105 
      1  -0.249172D+01  0.188946D+01 -0.310282D+01  0.401718D+01 -0.116537D+01
      2   0.296167D+01 -0.103919D+01  0.401718D+01  0.584824D+01  0.588038D+00
      3  -0.103919D+01 -0.341350D+01 -0.116537D+01  0.588038D+00 -0.148895D+01
               106           107           108           109           110 
      1   0.149310D+01 -0.114558D+01 -0.396602D+01  0.513893D+00  0.845344D+00
      2  -0.114558D+01 -0.523892D+00 -0.147653D+01  0.845344D+00  0.576730D-01
      3  -0.396602D+01 -0.147653D+01  0.121258D+01  0.890151D+00  0.380577D+00
               111           112           113           114           115 
      1   0.890151D+00  0.647793D+00 -0.269036D+00  0.815542D-01  0.110086D+01
      2   0.380577D+00 -0.269036D+00  0.230481D+01  0.228958D+01  0.388048D+00
      3   0.755339D+00  0.815542D-01  0.228958D+01  0.233716D+01  0.375885D-01
               116           117           118           119           120 
      1   0.388048D+00  0.375885D-01 -0.464134D+01  0.297244D+01 -0.123074D+01
      2   0.297895D+01  0.357628D+01  0.297244D+01 -0.349357D+01  0.666485D+00
      3   0.357628D+01  0.756412D+01 -0.123074D+01  0.666485D+00 -0.899488D+00
               121           122           123           124           125 
      1   0.237255D+01 -0.290065D+01  0.576360D+00 -0.182826D+01  0.111832D+01
      2  -0.290065D+01  0.442281D+01 -0.895522D+00  0.111832D+01 -0.176477D+01
      3   0.576360D+00 -0.895522D+00  0.117903D+01 -0.107213D+01  0.163735D+01
               126           127           128           129           130 
      1  -0.107213D+01  0.201580D+01  0.502041D+00 -0.143191D+01  0.544320D+00
      2   0.163735D+01  0.502041D+00  0.497630D+00  0.294281D+00  0.170815D-01
      3  -0.699432D+00 -0.143191D+01  0.294281D+00  0.285584D+01  0.824100D-01
               131           132           133           134           135 
      1   0.170815D-01  0.824100D-01 -0.186734D+01 -0.766054D-01  0.140817D+01
      2  -0.492913D+00 -0.917335D+00 -0.766054D-01 -0.988359D+00 -0.103720D+00
      3  -0.917335D+00  0.424587D+00  0.140817D+01 -0.103720D+00 -0.602525D+01
               136           137           138           139           140 
      1  -0.804136D+01  0.209523D+01 -0.209708D+01  0.359943D+01 -0.229573D+01
      2   0.209523D+01 -0.202105D+01  0.456618D+00 -0.229573D+01  0.145055D+01
      3  -0.209708D+01  0.456618D+00 -0.126606D+01  0.111380D+01 -0.564634D+00
               141           142           143           144           145 
      1   0.111380D+01 -0.136056D+01  0.540294D+00 -0.112741D+01 -0.226686D+01
      2  -0.564634D+00  0.540294D+00 -0.151115D+00  0.696779D+00 -0.168586D+01
      3   0.127148D+01 -0.112741D+01  0.696779D+00 -0.101313D+01 -0.443236D+00
               146           147           148           149           150 
      1  -0.168586D+01 -0.443236D+00 -0.243731D+01 -0.335300D+01 -0.538210D+00
      2  -0.212397D+01 -0.858869D-01 -0.335300D+01 -0.853498D+01 -0.938481D+00
      3  -0.858869D-01 -0.951627D-02 -0.538210D+00 -0.938481D+00 -0.135799D+01
               151           152           153 
      1   0.709530D-01  0.384376D-01 -0.124666D+00
      2   0.384376D-01  0.131908D+00 -0.981263D+00
      3  -0.124666D+00 -0.981263D+00 -0.168413D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.507563D+01  0.419709D+01 -0.107444D+01  0.160609D+01  0.219608D+01
      2  -0.130599D+01 -0.152433D+01  0.144436D+01 -0.160785D+01 -0.319100D+01
      3   0.386743D+01  0.651121D-01 -0.458280D+01  0.644951D+01 -0.489720D+01
                 6             7             8             9            10 
      1  -0.505303D+01 -0.538954D+01  0.523420D+01 -0.732054D+01 -0.323510D+01
      2  -0.912470D+00 -0.274286D+01 -0.259572D+01  0.768522D+01 -0.386601D+01
      3   0.199966D+00 -0.320621D+01 -0.291228D+01  0.404563D+01  0.202363D+01
                11            12            13            14            15 
      1   0.936434D+01 -0.340826D+01  0.678161D+01  0.657041D+01  0.139354D+01
      2  -0.798584D+01 -0.513053D+01 -0.403309D+01 -0.503428D+00  0.171044D+01
      3  -0.409023D+01  0.453722D+01  0.168071D+01 -0.198478D+01 -0.255767D+01
                16            17            18            19            20 
      1   0.297770D+01  0.197410D+02 -0.862286D+01 -0.930724D-01 -0.704228D+00
      2  -0.119028D+02 -0.280309D+01  0.730073D+01 -0.365701D+01  0.449138D+01
      3   0.177763D+01 -0.566917D+01  0.705991D+00 -0.410507D+00  0.302914D+01
                21            22            23            24            25 
      1  -0.580223D+01  0.857289D+00  0.876507D+01 -0.320800D+01 -0.239382D+00
      2   0.173784D+01  0.388874D+01 -0.354422D+00  0.256248D+01 -0.532332D+01
      3  -0.224353D+01  0.845884D+01 -0.515734D+01  0.914657D+00 -0.193768D+01
                26            27            28            29            30 
      1   0.489887D+01 -0.764030D+01  0.127215D+01 -0.201458D+01  0.778538D+00
      2   0.138438D+01 -0.213502D+01  0.790190D+01 -0.199875D+01 -0.106646D+01
      3   0.610573D+00  0.158006D+01  0.480472D+01 -0.936661D+01  0.176080D+01
                31            32            33            34            35 
      1  -0.254546D+01 -0.329778D+01 -0.336808D+01 -0.505518D+00  0.476094D+01
      2  -0.356995D+01  0.129427D+01 -0.242460D+01 -0.891211D+01 -0.396692D+01
      3  -0.263866D+01 -0.686096D+01 -0.998423D-01  0.117844D+01 -0.403891D-01
                36            37            38            39            40 
      1   0.560030D+00 -0.416440D+01  0.547250D+01  0.181027D+01  0.539026D+01
      2   0.735078D-01 -0.615458D+01  0.328699D+01  0.212809D+01  0.254972D+01
      3   0.123887D+01 -0.478116D+01 -0.207209D+01  0.333824D+01  0.532420D+01
                41            42            43            44            45 
      1   0.281754D+01  0.176008D+01  0.166291D+01  0.933833D+01  0.494585D+01
      2  -0.240985D+01  0.263837D+01 -0.440545D+01  0.461867D+01  0.404555D+01
      3   0.880426D+01 -0.170547D+01  0.347912D+01 -0.320724D+01 -0.370475D+01
                46            47            48            49            50 
      1   0.169130D+01 -0.567110D+01  0.421734D+01 -0.215462D+01 -0.321588D+00
      2  -0.882242D+00  0.201227D+01  0.125767D+02  0.116631D+01 -0.113945D+01
      3  -0.199314D+01 -0.116809D+02 -0.350499D+00 -0.155466D+01  0.629494D+01
                51            52            53            54            55 
      1  -0.295928D+01 -0.907766D+00 -0.437449D+01  0.203910D+01  0.254810D-01
      2  -0.363984D+01  0.403413D+01  0.512354D+00 -0.617037D+01 -0.165314D+01
      3   0.116686D+01  0.201753D+01  0.411882D+01  0.177405D+00 -0.162195D+01
                56            57            58            59            60 
      1   0.103711D+01  0.724759D+00  0.171057D+01 -0.209921D-01 -0.634929D+00
      2   0.286188D+00 -0.121174D+00 -0.228069D+00 -0.508055D+00  0.105720D+00
      3  -0.102006D+01 -0.884889D+00  0.361356D+00  0.955906D+00  0.448324D+00
                61            62            63            64            65 
      1   0.923332D+00 -0.275033D+01  0.149558D+02 -0.162882D+01 -0.570585D+01
      2  -0.343827D+01  0.289127D+01 -0.940742D+01  0.215708D+01  0.247881D+01
      3  -0.269101D+01  0.297780D+01 -0.225608D+01  0.439087D+01  0.175430D+00
                66            67            68            69            70 
      1  -0.153590D+01 -0.281157D+01 -0.433981D+01 -0.269022D+01 -0.141426D+01
      2   0.229172D+01  0.192734D+01  0.325833D+01  0.144554D+01  0.260671D+00
      3   0.671294D+00  0.439723D+01  0.432014D-01 -0.508293D+00  0.172039D+01
                71            72            73            74            75 
      1  -0.208458D+01 -0.621866D+00 -0.607724D+00 -0.116302D+01  0.467207D+01
      2   0.173190D+01  0.233529D+00  0.737806D+00  0.777365D-01 -0.932102D+00
      3  -0.108608D+00 -0.106151D+00 -0.346252D+00 -0.162603D+01 -0.175854D+01
                76            77            78            79            80 
      1  -0.146032D+01  0.286995D+00  0.541692D+00  0.135600D+01 -0.535352D+00
      2  -0.529533D+00 -0.627823D-02 -0.190091D-01 -0.395578D+01  0.609975D+00
      3   0.405648D+00 -0.172563D-01 -0.247671D-01 -0.260476D+01  0.361689D+00
                81            82            83            84            85 
      1   0.123581D+02  0.195919D+00  0.127273D+00 -0.457813D+00 -0.135525D+01
      2   0.470121D+00 -0.106753D+01  0.133053D+00  0.164417D+01  0.124075D+01
      3  -0.249021D+01  0.174671D+00 -0.582944D+00  0.916669D+00  0.524566D+01
                86            87            88            89            90 
      1  -0.116961D+02 -0.363628D+01 -0.550092D+00 -0.336615D+01 -0.156802D+01
      2   0.286144D+00 -0.620321D+00 -0.148997D+00  0.603836D-01 -0.438823D+00
      3   0.263671D+01  0.540351D-03  0.202952D+01  0.986732D+00  0.994672D-01
                91            92            93            94            95 
      1  -0.430982D+00 -0.154974D+01 -0.689045D+00 -0.560316D+00  0.717238D-01
      2   0.316494D+00  0.423747D+00  0.411710D+01  0.444997D+00 -0.104023D+01
      3   0.167620D+00 -0.243770D+01 -0.717595D+00  0.418276D+00  0.229642D-01
                96            97            98            99           100 
      1  -0.174877D+00  0.280306D+00  0.273359D+01 -0.116075D-01  0.470013D+01
      2   0.146387D+01  0.336356D+00  0.960017D+00 -0.558103D+01  0.107104D+00
      3   0.167054D+01 -0.862351D+00  0.271068D+01 -0.253896D+00 -0.918263D+01
               101           102           103           104           105 
      1  -0.461368D+01 -0.226213D+01 -0.682746D+01 -0.675897D+01 -0.498307D+01
      2   0.332058D+00  0.140292D+02  0.232912D+00  0.291695D+01  0.222793D+01
      3   0.692087D+01 -0.421754D+01  0.141810D+02  0.104329D+02  0.213626D+01
               106           107           108           109           110 
      1  -0.159824D+01  0.551090D+00  0.360853D+01 -0.357763D-01 -0.604067D+00
      2   0.796434D+01  0.205113D+01 -0.717044D+01 -0.986789D+00 -0.113884D+01
      3  -0.395140D+01  0.480272D+00 -0.425813D+00  0.188657D+01  0.341341D+00
               111           112           113           114           115 
      1  -0.837511D+00 -0.325515D+00 -0.134406D+01 -0.330623D+01  0.887597D-02
      2  -0.193402D+00 -0.132189D+01 -0.161687D+01 -0.197415D+01 -0.306451D+01
      3   0.158046D+01  0.200523D+01  0.800561D+00  0.216390D+01  0.282409D+01
               116           117           118           119           120 
      1  -0.714082D+00 -0.102133D+02  0.289628D+01 -0.208222D+01  0.252186D+01
      2  -0.293305D+01 -0.605800D+01  0.320633D+01 -0.223886D+01  0.309459D+01
      3   0.289066D+01  0.244222D+01 -0.577445D+01 -0.715836D+00 -0.138378D+01
               121           122           123           124           125 
      1  -0.226197D+01  0.291362D+01 -0.371750D+01  0.176537D+01 -0.172662D+01
      2  -0.148110D+01  0.232850D+01 -0.220450D+01  0.937112D+00 -0.235105D+01
      3   0.327953D+01 -0.109971D+00 -0.177198D-01 -0.300546D+01 -0.915048D+00
               126           127           128           129           130 
      1   0.240635D+01 -0.232849D+01 -0.167403D+01  0.251522D+01 -0.413161D+00
      2   0.188018D+01  0.727058D+01  0.571284D+00 -0.689343D+01  0.945183D+00
      3  -0.957899D-02 -0.935621D+00 -0.474256D+00  0.146441D+01  0.623288D+00
               131           132           133           134           135 
      1  -0.588981D+00  0.528628D+00  0.219528D+01  0.320533D+01 -0.490898D+01
      2   0.202502D+01 -0.856918D+00 -0.869846D+01 -0.434674D+00  0.139615D+02
      3  -0.768358D+00 -0.166305D+01  0.120532D+01 -0.126489D+01 -0.132178D+01
               136           137           138           139           140 
      1  -0.405834D+01  0.325301D+01 -0.697697D+00  0.283660D+01 -0.230146D+01
      2  -0.256043D+01  0.112886D+01  0.333755D+01  0.128303D+01 -0.731113D+00
      3   0.926893D+01 -0.862718D+01  0.238336D+01 -0.598012D+01  0.582533D+01
               141           142           143           144           145 
      1   0.180068D+00 -0.126625D+01  0.170766D+01 -0.132059D+01  0.725796D+00
      2  -0.290285D+01 -0.492952D+00 -0.115547D+01  0.174007D+01 -0.320696D+00
      3  -0.164751D+01  0.224532D+01 -0.113234D+01  0.240422D+01 -0.102930D+01
               146           147           148           149           150 
      1   0.233119D+01 -0.475044D+00  0.229035D+01  0.769030D+01 -0.334159D+01
      2  -0.977737D+00  0.604809D+00 -0.907491D+00 -0.608518D+00  0.340031D+01
      3  -0.449790D+01  0.127619D+00 -0.229367D+01 -0.165283D+02 -0.123335D+01
               151           152           153 
      1   0.191854D+00  0.405298D-01  0.713447D+00
      2  -0.810398D+00  0.192728D+01  0.327333D+00
      3  -0.218494D+00  0.112737D+00 -0.212560D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.145912D+00  0.296427D+01  0.424462D+00 -0.323241D+01 -0.503431D+01
      2  -0.526970D+01 -0.161487D+02  0.517194D+00 -0.731442D+01  0.577484D+00
      3   0.512379D+01  0.131844D+02 -0.941655D+00  0.105468D+02  0.445683D+01
      4  -0.621541D+01 -0.147590D+02 -0.392697D+01 -0.733953D+01 -0.145181D+02
      5  -0.520022D+00 -0.228808D+01  0.421716D+00 -0.170347D+01 -0.183246D+01
      6  -0.435872D+01 -0.585359D+00  0.283506D+01 -0.203572D+01 -0.396264D+01
                 6             7             8             9            10 
      1   0.198097D+01  0.466234D+01 -0.464075D+01  0.111644D+02 -0.390549D+02
      2  -0.366567D+01 -0.291808D+01 -0.528043D+01  0.397294D+01  0.200576D+02
      3   0.168470D+01 -0.174426D+01  0.992117D+01 -0.151373D+02  0.189972D+02
      4  -0.179105D+01 -0.789685D+01 -0.968910D+00 -0.334886D+01  0.166849D+02
      5  -0.134137D+01 -0.319575D+00 -0.125071D+01  0.428735D+01  0.880007D+01
      6   0.325092D+01  0.376503D+01 -0.384494D+01  0.162957D+02 -0.427312D+01
                11            12            13            14            15 
      1   0.619613D+01  0.101856D+01  0.143288D+02  0.830208D+00 -0.498615D+01
      2   0.189735D+01 -0.536547D+01 -0.908214D+01 -0.316538D+01  0.167579D+01
      3  -0.809348D+01  0.434692D+01 -0.524661D+01  0.233518D+01  0.331035D+01
      4  -0.106894D+02 -0.248209D+01 -0.286844D+01  0.218434D+01  0.134767D+01
      5  -0.194141D+01 -0.104526D+02 -0.192116D+01  0.196637D+01  0.457581D+01
      6   0.638249D+01  0.349097D+01  0.215005D+01  0.925378D+00 -0.434111D+01
                16            17            18            19            20 
      1   0.969650D+01 -0.481085D+01 -0.687470D+01 -0.285050D+01 -0.314463D+01
      2  -0.496879D+01  0.288946D+01 -0.728935D+00  0.415044D+01  0.154898D+01
      3  -0.472771D+01  0.192139D+01  0.760363D+01 -0.129994D+01  0.159566D+01
      4  -0.172474D+01  0.552846D+01  0.308245D+01 -0.312617D+00  0.252549D+01
      5   0.119209D+01  0.125293D+01  0.731529D+01 -0.380565D+01 -0.955833D+00
      6   0.155550D+01 -0.261114D+00  0.520478D+00 -0.387260D+01 -0.279052D+01
                21            22            23            24            25 
      1   0.620443D+01  0.440242D+01  0.752677D+01  0.298692D+01  0.165311D+00
      2   0.337835D+01 -0.372893D+01 -0.199587D+02 -0.295299D+01  0.206592D+01
      3  -0.958277D+01 -0.673485D+00  0.124319D+02 -0.339317D-01 -0.223123D+01
      4  -0.299407D+00  0.153575D-01  0.248897D+01 -0.308291D-01 -0.742171D+00
      5   0.373958D+00 -0.137535D+01  0.407592D+00  0.323120D+01  0.236013D+01
      6   0.588921D+01  0.968894D+00 -0.339352D+01  0.331039D+01  0.136421D+01
                26            27            28            29            30 
      1   0.171774D+01  0.185115D+02  0.783024D+00 -0.409602D+01  0.525509D+01
      2  -0.869108D+01  0.492313D+01  0.305425D+01  0.172949D+01 -0.508628D+01
      3   0.697334D+01 -0.234346D+02 -0.383728D+01  0.236652D+01 -0.168810D+00
      4  -0.162581D+01  0.325756D+01 -0.360441D+01  0.222843D+01 -0.163498D+01
      5   0.259903D+01 -0.107410D+02  0.126056D+02  0.112220D+01 -0.180547D+02
      6   0.553739D+00  0.117667D+02  0.280734D+01 -0.145067D+01 -0.443972D+01
                31            32            33            34            35 
      1  -0.683631D+01  0.721544D+01 -0.328935D+01  0.219992D+01 -0.349187D+01
      2   0.460679D+01 -0.412857D+01  0.180474D+01 -0.521518D+01  0.914770D+00
      3   0.222952D+01 -0.308687D+01  0.148461D+01  0.301527D+01  0.257710D+01
      4   0.408633D+01  0.789798D+01  0.349178D+00 -0.436163D+01 -0.229835D+01
      5  -0.445372D+00  0.909104D+00 -0.572369D+01 -0.213471D+02 -0.712313D+01
      6   0.218741D+00 -0.119710D+01 -0.186504D+01 -0.495654D+01 -0.611861D+00
                36            37            38            39            40 
      1  -0.158607D+02 -0.291892D+01  0.138038D+01 -0.147787D+00  0.246635D+01
      2   0.130612D+02 -0.418104D+01  0.965035D+01 -0.162258D+01  0.771718D+01
      3   0.279954D+01  0.709997D+01 -0.110307D+02  0.177036D+01 -0.101835D+02
      4  -0.878000D+01  0.437438D+01 -0.126077D+02  0.811863D+01 -0.108762D+02
      5   0.107901D+02 -0.628913D+01  0.319943D+01  0.166434D+01  0.103508D+01
      6   0.170866D+01  0.578540D+01 -0.438376D+01 -0.317573D+01 -0.358811D+01
                41            42            43            44            45 
      1  -0.534958D+01  0.596938D+01 -0.117993D+01  0.965986D+01  0.144793D+02
      2   0.653072D+01  0.198521D+01 -0.216402D+01  0.234071D+01 -0.552502D+01
      3  -0.118114D+01 -0.795458D+01  0.334394D+01 -0.120006D+02 -0.895427D+01
      4   0.626435D+01 -0.284951D+01  0.120587D+02 -0.267111D+01  0.656542D+01
      5  -0.233402D+01  0.200425D+01  0.237639D+01  0.408354D+01  0.223456D+01
      6   0.190802D+01 -0.971174D+01 -0.953659D+00 -0.118957D+02 -0.200844D+02
                46            47            48            49            50 
      1   0.842386D+02 -0.125634D+02 -0.606611D+01 -0.131202D+02  0.965755D+01
      2  -0.443765D+02  0.336386D+01  0.593016D+01  0.406926D+01  0.624404D+00
      3  -0.398621D+02  0.919950D+01  0.135948D+00  0.905097D+01 -0.102820D+02
      4  -0.250306D+02  0.221408D+02  0.427869D+01  0.245101D+02 -0.154917D+02
      5  -0.112958D+02  0.313339D+01  0.213895D+02  0.363900D+01 -0.410667D+01
      6   0.742908D+01 -0.418282D+01 -0.545524D+01 -0.429299D+01  0.413508D+01
                51            52            53            54            55 
      1   0.154199D+01 -0.761576D+01  0.199963D+01  0.105155D+02 -0.244944D+01
      2  -0.797582D+00  0.650125D+01 -0.300199D+00 -0.110171D+02 -0.623240D+00
      3  -0.744410D+00  0.111450D+01 -0.169943D+01  0.501566D+00  0.307268D+01
      4  -0.518539D+01  0.505069D+01 -0.509796D+01 -0.737553D+01  0.261166D+00
      5  -0.630785D+01  0.232080D+02 -0.676347D+01 -0.120732D+02 -0.266524D+00
      6   0.746901D+01 -0.579215D+01  0.795274D+01  0.388013D+01 -0.281573D+01
                56            57            58            59            60 
      1   0.669343D+00 -0.156571D+01 -0.138707D+00 -0.468967D+01  0.356966D+01
      2   0.765951D+00  0.522701D+00  0.846401D+00  0.336701D+01 -0.385717D+01
      3  -0.143529D+01  0.104301D+01 -0.707695D+00  0.132267D+01  0.287503D+00
      4   0.458852D+01 -0.230927D+01  0.231104D+01  0.253666D+01 -0.103957D+01
      5  -0.102717D+01  0.505242D+01  0.318944D+00 -0.556130D+00 -0.159489D+00
      6  -0.939706D-01 -0.176172D+01 -0.143130D+00 -0.475285D+01  0.701289D+01
                61            62            63            64            65 
      1  -0.327046D+01  0.901864D+01 -0.197915D+02  0.806465D+01 -0.902822D-01
      2   0.148878D+01 -0.312513D+01 -0.874610D+01  0.476903D+01  0.124203D+02
      3   0.178167D+01 -0.589351D+01  0.285376D+02 -0.128337D+02 -0.123300D+02
      4  -0.247973D+01 -0.284144D+01  0.453146D+01  0.209599D+02  0.232023D+02
      5   0.487635D+01  0.202758D+01 -0.775106D+01  0.127083D+01  0.777677D+00
      6  -0.279984D+00  0.119110D+02 -0.245430D+02  0.132176D+01  0.536209D+00
                66            67            68            69            70 
      1   0.564614D+00 -0.599428D+00 -0.911310D+01 -0.111791D+00  0.821082D+00
      2   0.133612D+00  0.106956D+02  0.263065D+02  0.185754D+01  0.830321D+00
      3  -0.698227D+00 -0.100962D+02 -0.171934D+02 -0.174575D+01 -0.165140D+01
      4   0.133682D+01  0.169364D+02  0.242283D+02  0.171831D+01  0.476357D+01
      5   0.391401D+01  0.768255D+00  0.234488D+01  0.231830D+01  0.367422D+01
      6   0.302995D+01  0.435403D+00  0.139824D+01  0.510929D+01  0.339347D+01
                71            72            73            74            75 
      1  -0.392794D+00 -0.290848D+01  0.144050D+00  0.232926D+01 -0.404362D+01
      2   0.475172D+01  0.264154D+01 -0.430735D+01 -0.488206D+00 -0.318698D+01
      3  -0.435892D+01  0.266949D+00  0.416330D+01 -0.184105D+01  0.723060D+01
      4   0.443689D+01  0.550197D+01 -0.171467D+01  0.295192D+01 -0.391837D+01
      5   0.421367D+01  0.163343D+01  0.524650D+01 -0.221370D+01  0.960679D+01
      6   0.736476D+01  0.535327D+00 -0.280398D+01  0.300430D+01 -0.524311D+01
                76            77            78            79            80 
      1   0.469986D+00 -0.632776D+01  0.253615D+01 -0.161602D+01  0.658247D+01
      2   0.274255D+00  0.357495D+01 -0.350428D+01 -0.268514D+01 -0.484176D+00
      3  -0.744241D+00  0.275282D+01  0.968131D+00  0.430116D+01 -0.609829D+01
      4   0.121220D+01 -0.653009D+00  0.140070D+01 -0.389784D+01  0.194126D+01
      5   0.254054D+00  0.162774D+01 -0.257429D+00  0.659690D+01 -0.219682D+01
      6   0.156333D+01 -0.390361D+01  0.712075D+01 -0.290238D+01  0.986802D+01
                81            82            83            84            85 
      1  -0.265050D+02 -0.233675D+00  0.437032D+00 -0.105105D+01 -0.122003D+01
      2  -0.141191D+02  0.361617D+01 -0.100483D+01  0.462074D+00  0.120725D+01
      3   0.406241D+02 -0.338249D+01  0.567796D+00  0.588977D+00  0.127771D-01
      4  -0.322430D+01 -0.234957D+00  0.815565D+01  0.638051D+00  0.650109D+01
      5   0.116616D+02 -0.647989D+00 -0.110630D+01  0.181005D+01 -0.367472D+00
      6  -0.206566D+02  0.661093D+00  0.376164D+00 -0.329278D+00  0.379644D+00
                86            87            88            89            90 
      1  -0.244178D+02  0.411395D+00 -0.447973D+00 -0.326518D+01 -0.566872D+01
      2   0.436362D+02  0.208611D+01  0.129562D+00  0.826079D+01  0.395644D+01
      3  -0.192185D+02 -0.249751D+01  0.318411D+00 -0.499561D+01  0.171228D+01
      4  -0.161111D+01  0.119754D-01  0.225996D+01 -0.111232D+01 -0.334388D+00
      5   0.181231D+00 -0.496554D+00  0.839383D+00 -0.229949D+00  0.725383D+00
      6  -0.380380D+01  0.612605D+01  0.115084D+00  0.659991D+01  0.637094D+00
                91            92            93            94            95 
      1   0.173580D+02  0.242141D+01 -0.833056D+01  0.226960D+01  0.305613D+00
      2  -0.152706D+02 -0.195741D+01  0.100887D+02 -0.139369D+01 -0.263082D+00
      3  -0.208741D+01 -0.463999D+00 -0.175811D+01 -0.875904D+00 -0.425302D-01
      4   0.525300D+01  0.503000D+01 -0.213876D+01  0.583764D+01  0.141813D+01
      5  -0.211107D+02 -0.234119D+01  0.203978D+02 -0.210616D+01 -0.598646D+01
      6  -0.296571D+01 -0.243812D+01  0.338667D+01 -0.302114D+01 -0.213219D+01
                96            97            98            99           100 
      1   0.935482D-01 -0.664729D+01 -0.831717D-03  0.239350D+01 -0.190406D+02
      2   0.216065D+00  0.115900D+02  0.123160D+01 -0.159514D+02  0.123717D+02
      3  -0.309613D+00 -0.494270D+01 -0.123077D+01  0.135579D+02  0.666885D+01
      4  -0.442721D+01 -0.241006D+01 -0.344862D+01  0.327782D+01  0.110070D+02
      5   0.340347D+01  0.214737D+02  0.367670D+01 -0.269818D+02 -0.113597D+02
      6   0.583133D+01  0.308648D+01  0.495070D+01 -0.534521D+01  0.324445D+01
               101           102           103           104           105 
      1   0.157213D+02 -0.164013D+02  0.207176D+02 -0.105526D+02  0.461902D+01
      2  -0.144623D+02  0.323489D+00 -0.190095D+02 -0.958843D+01 -0.576202D+01
      3  -0.125897D+01  0.160779D+02 -0.170809D+01  0.201410D+02  0.114300D+01
      4  -0.117343D+02  0.278620D+01 -0.168371D+02 -0.267995D+02 -0.188885D+01
      5   0.705403D+01  0.769804D+01  0.891010D+01 -0.435829D+01  0.582902D+01
      6  -0.350984D+01  0.606451D+01 -0.496370D+01 -0.559056D+01  0.222494D+01
               106           107           108           109           110 
      1  -0.130638D+02  0.442825D+01  0.189062D+02 -0.177666D+01 -0.275744D+01
      2   0.665663D+00 -0.397891D+01 -0.443381D+01  0.453326D+00  0.969330D+00
      3   0.123981D+02 -0.449339D+00 -0.144724D+02  0.132333D+01  0.178811D+01
      4   0.427418D+01  0.177504D+01  0.104947D+02 -0.386233D+00  0.500034D+01
      5   0.963650D+01  0.642878D+01  0.283021D+01  0.327652D+00  0.183777D+01
      6   0.662431D+01  0.164496D+01  0.171450D+00  0.396907D+01  0.229689D+01
               111           112           113           114           115 
      1  -0.284950D+01 -0.637100D+00 -0.982016D+01 -0.916556D+01 -0.197491D+01
      2   0.126785D+01 -0.592620D+00  0.861046D+01  0.625624D+01  0.122181D+01
      3   0.158165D+01  0.122972D+01  0.120971D+01  0.290932D+01  0.753095D+00
      4   0.279690D+01  0.420138D+01 -0.356953D+01 -0.238845D+01  0.312187D+01
      5   0.489919D+01  0.112290D+01 -0.197491D+01 -0.203287D+01  0.443675D+01
      6   0.321860D+01  0.519903D+00  0.127422D+02  0.146002D+02 -0.456521D+00
               116           117           118           119           120 
      1  -0.128814D+02 -0.214838D+02  0.104195D+02 -0.156371D+01  0.188410D+01
      2   0.636098D+01 -0.152952D+01  0.314361D+01 -0.944101D+01  0.832336D+00
      3   0.652041D+01  0.230133D+02 -0.135632D+02  0.110047D+02 -0.271644D+01
      4  -0.416175D+01 -0.528035D+01 -0.213164D+02  0.194060D+02 -0.526693D+01
      5  -0.397532D+01 -0.727114D+01  0.360945D+01 -0.189263D+01  0.434859D+01
      6   0.186028D+02  0.299633D+02 -0.361471D+01  0.192686D+01 -0.363895D+01
               121           122           123           124           125 
      1  -0.860428D+00 -0.439676D+01  0.237011D+00  0.219263D+01  0.809507D+00
      2  -0.902419D+01  0.181208D+02 -0.375654D+01  0.139985D+01 -0.644859D+01
      3   0.988462D+01 -0.137241D+02  0.351953D+01 -0.359247D+01  0.563908D+01
      4   0.165707D+02 -0.199409D+02  0.414839D+01 -0.819281D+01  0.760036D+01
      5  -0.165256D+01  0.238700D+01 -0.264210D+01  0.501385D+01 -0.414497D+01
      6   0.176058D+01 -0.378146D+01  0.608368D+01 -0.415627D+01  0.750108D+01
               126           127           128           129           130 
      1  -0.180115D+01 -0.577385D+01 -0.121429D+01  0.110815D+02 -0.264509D+01
      2   0.267740D+01 -0.698881D+00  0.819369D+00  0.139490D+01  0.201913D+01
      3  -0.876245D+00  0.647273D+01  0.394916D+00 -0.124764D+02  0.625960D+00
      4  -0.640611D+01 -0.404639D+01  0.256818D+00  0.123603D+01  0.217915D+01
      5   0.379000D+01 -0.195099D+01 -0.137179D+01 -0.216278D+01 -0.123103D+01
      6  -0.316250D+01  0.913334D+00 -0.241366D+01 -0.394157D+01 -0.919503D+00
               131           132           133           134           135 
      1  -0.242513D+01 -0.590211D+00  0.106832D+02 -0.863862D+00 -0.205911D+02
      2   0.147139D+01  0.222385D+01 -0.736559D+00  0.135638D+01 -0.889537D+01
      3   0.953748D+00 -0.163364D+01 -0.994668D+01 -0.492521D+00  0.294865D+02
      4   0.225838D+01  0.215433D+01  0.243199D+01  0.250079D+01 -0.291472D+01
      5   0.164830D+01 -0.163256D+01  0.265196D+01  0.110631D+00  0.111736D+02
      6   0.112515D+01  0.412994D+01 -0.158713D+01  0.465357D+01  0.663774D+01
               136           137           138           139           140 
      1   0.508093D+02 -0.134482D+02  0.100301D+02 -0.210016D+02  0.106571D+02
      2  -0.297519D+02  0.867780D+01 -0.801022D+01  0.126277D+02 -0.373199D+01
      3  -0.210575D+02  0.477035D+01 -0.201991D+01  0.837395D+01 -0.692513D+01
      4  -0.850339D+01  0.114437D+02 -0.157650D+01  0.125539D+02 -0.826623D+01
      5   0.199987D+02 -0.511789D+01  0.118540D+02 -0.935640D+01  0.501417D+01
      6  -0.338137D+01  0.406100D+01 -0.117254D+01  0.431701D+01 -0.335078D+01
               141           142           143           144           145 
      1  -0.383958D+01  0.688289D+01 -0.170925D+01  0.461038D+01  0.975910D+01
      2   0.429681D+01 -0.630972D+01  0.245928D+01 -0.620400D+01 -0.948877D+00
      3  -0.457229D+00 -0.573165D+00 -0.750032D+00  0.159362D+01 -0.881022D+01
      4   0.280004D+01 -0.160643D+01  0.899254D+00 -0.360901D+01  0.118017D+02
      5  -0.738008D+01  0.112863D+02 -0.485688D+01  0.657029D+01  0.387787D+01
      6   0.180279D+01 -0.164566D+01  0.191389D+01 -0.834298D+00  0.195442D+01
               146           147           148           149           150 
      1   0.539478D+01  0.197968D+01  0.631867D+01 -0.293299D+01 -0.110979D+01
      2   0.234164D+01 -0.573257D+00  0.471792D+01  0.257504D+02  0.186662D+00
      3  -0.773642D+01 -0.140643D+01 -0.110366D+02 -0.228174D+02  0.923128D+00
      4   0.161609D+02  0.108153D+01  0.217238D+02  0.405500D+02  0.416045D+01
      5   0.185107D+01  0.256605D+01  0.411064D+01  0.466254D+01  0.661194D+01
      6   0.326482D+01  0.124288D+01  0.514092D+01  0.123540D+02  0.717214D+01
               151           152           153 
      1  -0.481250D+00 -0.130571D+01 -0.264643D+01
      2   0.110888D+00 -0.140356D+01  0.236680D+01
      3   0.370362D+00  0.270927D+01  0.279636D+00
      4  -0.648733D+00 -0.455784D+00  0.456192D+01
      5   0.276187D+01  0.512538D+01  0.296753D+00
      6   0.180320D+01  0.639714D+01  0.122911D+01
 Leave Link  716 at Fri Jul 23 14:32:50 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.807178D+02 -0.102300D+01 -0.150980D+01
      2  -0.102300D+01  0.733007D+02 -0.128042D+01
      3  -0.150980D+01 -0.128042D+01  0.653264D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.288096D+01  0.192633D+00 -0.215240D+01
      2  -0.869781D+01 -0.248439D+01 -0.181178D+02
      3   0.570274D+01  0.149064D+02  0.216247D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.200753D+02 -0.165035D+02 -0.243660D+02
      2   0.104933D+02  0.143904D+02  0.896952D+01
      3   0.958203D+01  0.211313D+01  0.153965D+02
      4  -0.840126D+01 -0.294082D+02 -0.699522D+01
      5  -0.209567D+02 -0.506276D+01 -0.380296D+02
      6   0.463586D+00  0.202355D+01  0.597935D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.689271D-01 -0.199450D+01 -0.144469D+01 -0.187980D+01 -0.359882D+01
      2  -0.199450D+01 -0.511612D+01  0.282706D+00 -0.359882D+01 -0.250848D+00
      3  -0.144469D+01  0.282706D+00  0.501255D+00  0.311192D-01 -0.105234D+01
                 6             7             8             9            10 
      1   0.311192D-01 -0.125600D+01 -0.117143D+01  0.963444D+00 -0.569440D+01
      2  -0.105234D+01 -0.117143D+01 -0.201025D+00 -0.101548D+01  0.350266D+01
      3  -0.371951D+00  0.963444D+00 -0.101548D+01  0.528961D+01  0.101433D+01
                11            12            13            14            15 
      1   0.350266D+01  0.101433D+01  0.283386D+01  0.538774D+00 -0.660242D+00
      2   0.309210D+01 -0.190235D+01  0.538774D+00 -0.233274D+01  0.395139D+00
      3  -0.190235D+01  0.356914D+00 -0.660242D+00  0.395139D+00  0.383414D+00
                16            17            18            19            20 
      1   0.135449D+01 -0.775903D+00 -0.397495D+00  0.983122D+00 -0.280052D+01
      2  -0.775903D+00 -0.694217D+00  0.669559D+00 -0.280052D+01 -0.100146D+01
      3  -0.397495D+00  0.669559D+00  0.771690D-01  0.128981D+01  0.967492D+00
                21            22            23            24            25 
      1   0.128981D+01 -0.185229D+01  0.105668D+00  0.261648D+00 -0.557769D+00
      2   0.967492D+00  0.105668D+00  0.623890D+01  0.136436D+01  0.392068D+00
      3  -0.266385D+01  0.261648D+00  0.136436D+01 -0.194906D+00 -0.165060D+01
                26            27            28            29            30 
      1   0.392068D+00 -0.165060D+01 -0.113575D+01  0.230368D+01 -0.230575D+01
      2   0.225452D+01  0.396175D+00  0.230368D+01 -0.278090D+01  0.832592D+00
      3   0.396175D+00 -0.559604D+01 -0.230575D+01  0.832592D+00  0.413044D+01
                31            32            33            34            35 
      1   0.198310D+01 -0.232290D+01  0.774170D+00 -0.209097D+01  0.599144D+00
      2  -0.232290D+01 -0.488019D+01 -0.758408D+00  0.599144D+00  0.309772D+00
      3   0.774170D+00 -0.758408D+00  0.179523D+01  0.472689D+01  0.188910D+01
                36            37            38            39            40 
      1   0.472689D+01  0.283407D+00 -0.158180D+01  0.249679D+01 -0.775520D+00
      2   0.188910D+01 -0.158180D+01  0.346870D+01 -0.107418D+01  0.357391D+01
      3  -0.563574D+00  0.249679D+01 -0.107418D+01 -0.125350D+01 -0.127281D+01
                41            42            43            44            45 
      1   0.357391D+01 -0.127281D+01  0.268127D+01 -0.180374D+01 -0.947834D+00
      2   0.216623D+01  0.143102D+00 -0.180374D+01 -0.160906D+00 -0.330702D+01
      3   0.143102D+00 -0.239754D+01 -0.947834D+00 -0.330702D+01 -0.487693D+01
                46            47            48            49            50 
      1   0.149430D+02 -0.344663D+01 -0.200291D+01 -0.301969D+01  0.381742D+01
      2  -0.344663D+01  0.147695D+01  0.904615D+00  0.381742D+01 -0.239327D+01
      3  -0.200291D+01  0.904615D+00  0.171203D+01  0.617989D+00 -0.107140D+01
                51            52            53            54            55 
      1   0.617989D+00 -0.212018D+01  0.608479D+00  0.377588D+01 -0.633661D+00
      2  -0.107140D+01  0.608479D+00 -0.400964D+00 -0.145683D+01  0.537282D+00
      3  -0.776776D+00  0.377588D+01 -0.145683D+01 -0.197642D+01 -0.100773D+01
                56            57            58            59            60 
      1   0.537282D+00 -0.100773D+01  0.201531D+00  0.308024D+00  0.787941D-01
      2   0.514824D+00 -0.554798D-01  0.308024D+00  0.869225D+00 -0.112049D+01
      3  -0.554798D-01 -0.351261D+00  0.787941D-01 -0.112049D+01  0.654309D+00
                61            62            63            64            65 
      1  -0.156276D+01  0.292655D+00 -0.122588D+00  0.429310D+01  0.324148D+01
      2   0.292655D+00 -0.215119D+01  0.212738D+01  0.324148D+01  0.425952D+01
      3  -0.122588D+00  0.212738D+01 -0.815295D+01  0.370250D+00  0.496244D-01
                66            67            68            69            70 
      1   0.370250D+00  0.272498D+01  0.306216D+01  0.861037D-01  0.108303D+01
      2   0.496244D-01  0.306216D+01  0.607885D+01  0.526589D+00  0.808987D+00
      3   0.624704D+00  0.861037D-01  0.526589D+00  0.942635D+00  0.570438D+00
                71            72            73            74            75 
      1   0.808987D+00  0.570438D+00  0.920044D+00  0.773424D-01  0.147029D+01
      2   0.118772D+01  0.131021D+01  0.773424D-01  0.543490D+00 -0.718370D+00
      3   0.131021D+01 -0.591520D-02  0.147029D+01 -0.718370D+00  0.206828D+01
                76            77            78            79            80 
      1   0.469534D+00  0.180181D+00 -0.161333D+00  0.221660D+01 -0.300788D+00
      2   0.180181D+00 -0.104463D+01  0.121413D+01 -0.300788D+00  0.138873D+01
      3  -0.161333D+00  0.121413D+01 -0.353041D+00  0.145414D+01 -0.175036D+01
                81            82            83            84            85 
      1   0.145414D+01 -0.105679D+00 -0.107163D+01 -0.446368D+00 -0.157282D+01
      2  -0.175036D+01 -0.107163D+01  0.349785D+00 -0.163891D+00 -0.304332D-01
      3   0.933940D+01 -0.446368D+00 -0.163891D+00  0.252962D+00 -0.881278D-01
                86            87            88            89            90 
      1  -0.304332D-01 -0.881278D-01 -0.584683D+00  0.919271D-01  0.844947D-01
      2  -0.936505D+01 -0.380533D+00  0.919271D-01 -0.222840D+01 -0.136058D+01
      3  -0.380533D+00 -0.122940D+01  0.844947D-01 -0.136058D+01  0.160510D+00
                91            92            93            94            95 
      1  -0.499103D+01 -0.100484D+01  0.298933D+01 -0.736850D+00 -0.849824D+00
      2  -0.100484D+01 -0.685281D+00  0.204360D+00 -0.849824D+00 -0.849978D-01
      3   0.298933D+01  0.204360D+00 -0.340059D+01  0.182150D+00  0.117821D+01
                96            97            98            99           100 
      1   0.182150D+00  0.322820D+01  0.395682D+00 -0.361229D+01  0.348880D+01
      2   0.117821D+01  0.395682D+00  0.101323D+01 -0.851042D+00 -0.249172D+01
      3  -0.817289D+00 -0.361229D+01 -0.851042D+00  0.543466D+01  0.188946D+01
               101           102           103           104           105 
      1  -0.249172D+01  0.188946D+01 -0.310282D+01  0.401718D+01 -0.116537D+01
      2   0.296167D+01 -0.103919D+01  0.401718D+01  0.584824D+01  0.588038D+00
      3  -0.103919D+01 -0.341350D+01 -0.116537D+01  0.588038D+00 -0.148895D+01
               106           107           108           109           110 
      1   0.149310D+01 -0.114558D+01 -0.396602D+01  0.513893D+00  0.845344D+00
      2  -0.114558D+01 -0.523892D+00 -0.147653D+01  0.845344D+00  0.576730D-01
      3  -0.396602D+01 -0.147653D+01  0.121258D+01  0.890151D+00  0.380577D+00
               111           112           113           114           115 
      1   0.890151D+00  0.647793D+00 -0.269036D+00  0.815542D-01  0.110086D+01
      2   0.380577D+00 -0.269036D+00  0.230481D+01  0.228958D+01  0.388048D+00
      3   0.755339D+00  0.815542D-01  0.228958D+01  0.233716D+01  0.375885D-01
               116           117           118           119           120 
      1   0.388048D+00  0.375885D-01 -0.464134D+01  0.297244D+01 -0.123074D+01
      2   0.297895D+01  0.357628D+01  0.297244D+01 -0.349357D+01  0.666485D+00
      3   0.357628D+01  0.756412D+01 -0.123074D+01  0.666485D+00 -0.899488D+00
               121           122           123           124           125 
      1   0.237255D+01 -0.290065D+01  0.576360D+00 -0.182826D+01  0.111832D+01
      2  -0.290065D+01  0.442281D+01 -0.895522D+00  0.111832D+01 -0.176477D+01
      3   0.576360D+00 -0.895522D+00  0.117903D+01 -0.107213D+01  0.163735D+01
               126           127           128           129           130 
      1  -0.107213D+01  0.201580D+01  0.502041D+00 -0.143191D+01  0.544320D+00
      2   0.163735D+01  0.502041D+00  0.497630D+00  0.294281D+00  0.170815D-01
      3  -0.699432D+00 -0.143191D+01  0.294281D+00  0.285584D+01  0.824100D-01
               131           132           133           134           135 
      1   0.170815D-01  0.824100D-01 -0.186734D+01 -0.766054D-01  0.140817D+01
      2  -0.492913D+00 -0.917335D+00 -0.766054D-01 -0.988359D+00 -0.103720D+00
      3  -0.917335D+00  0.424587D+00  0.140817D+01 -0.103720D+00 -0.602525D+01
               136           137           138           139           140 
      1  -0.804136D+01  0.209523D+01 -0.209708D+01  0.359943D+01 -0.229573D+01
      2   0.209523D+01 -0.202105D+01  0.456618D+00 -0.229573D+01  0.145055D+01
      3  -0.209708D+01  0.456618D+00 -0.126606D+01  0.111380D+01 -0.564634D+00
               141           142           143           144           145 
      1   0.111380D+01 -0.136056D+01  0.540294D+00 -0.112741D+01 -0.226686D+01
      2  -0.564634D+00  0.540294D+00 -0.151115D+00  0.696779D+00 -0.168586D+01
      3   0.127148D+01 -0.112741D+01  0.696779D+00 -0.101313D+01 -0.443236D+00
               146           147           148           149           150 
      1  -0.168586D+01 -0.443236D+00 -0.243731D+01 -0.335300D+01 -0.538210D+00
      2  -0.212397D+01 -0.858869D-01 -0.335300D+01 -0.853498D+01 -0.938481D+00
      3  -0.858869D-01 -0.951627D-02 -0.538210D+00 -0.938481D+00 -0.135799D+01
               151           152           153 
      1   0.709530D-01  0.384376D-01 -0.124666D+00
      2   0.384376D-01  0.131908D+00 -0.981263D+00
      3  -0.124666D+00 -0.981263D+00 -0.168413D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.507563D+01  0.419709D+01 -0.107444D+01  0.160609D+01  0.219608D+01
      2  -0.130599D+01 -0.152433D+01  0.144436D+01 -0.160785D+01 -0.319100D+01
      3   0.386743D+01  0.651121D-01 -0.458280D+01  0.644951D+01 -0.489720D+01
                 6             7             8             9            10 
      1  -0.505303D+01 -0.538954D+01  0.523420D+01 -0.732054D+01 -0.323510D+01
      2  -0.912470D+00 -0.274286D+01 -0.259572D+01  0.768522D+01 -0.386601D+01
      3   0.199966D+00 -0.320621D+01 -0.291228D+01  0.404563D+01  0.202363D+01
                11            12            13            14            15 
      1   0.936434D+01 -0.340826D+01  0.678161D+01  0.657041D+01  0.139354D+01
      2  -0.798584D+01 -0.513053D+01 -0.403309D+01 -0.503428D+00  0.171044D+01
      3  -0.409023D+01  0.453722D+01  0.168071D+01 -0.198478D+01 -0.255767D+01
                16            17            18            19            20 
      1   0.297770D+01  0.197410D+02 -0.862286D+01 -0.930724D-01 -0.704228D+00
      2  -0.119028D+02 -0.280309D+01  0.730073D+01 -0.365701D+01  0.449138D+01
      3   0.177763D+01 -0.566917D+01  0.705991D+00 -0.410507D+00  0.302914D+01
                21            22            23            24            25 
      1  -0.580223D+01  0.857289D+00  0.876507D+01 -0.320800D+01 -0.239382D+00
      2   0.173784D+01  0.388874D+01 -0.354422D+00  0.256248D+01 -0.532332D+01
      3  -0.224353D+01  0.845884D+01 -0.515734D+01  0.914657D+00 -0.193768D+01
                26            27            28            29            30 
      1   0.489887D+01 -0.764030D+01  0.127215D+01 -0.201458D+01  0.778538D+00
      2   0.138438D+01 -0.213502D+01  0.790190D+01 -0.199875D+01 -0.106646D+01
      3   0.610573D+00  0.158006D+01  0.480472D+01 -0.936661D+01  0.176080D+01
                31            32            33            34            35 
      1  -0.254546D+01 -0.329778D+01 -0.336808D+01 -0.505518D+00  0.476094D+01
      2  -0.356995D+01  0.129427D+01 -0.242460D+01 -0.891211D+01 -0.396692D+01
      3  -0.263866D+01 -0.686096D+01 -0.998423D-01  0.117844D+01 -0.403891D-01
                36            37            38            39            40 
      1   0.560030D+00 -0.416440D+01  0.547250D+01  0.181027D+01  0.539026D+01
      2   0.735078D-01 -0.615458D+01  0.328699D+01  0.212809D+01  0.254972D+01
      3   0.123887D+01 -0.478116D+01 -0.207209D+01  0.333824D+01  0.532420D+01
                41            42            43            44            45 
      1   0.281754D+01  0.176008D+01  0.166291D+01  0.933833D+01  0.494585D+01
      2  -0.240985D+01  0.263837D+01 -0.440545D+01  0.461867D+01  0.404555D+01
      3   0.880426D+01 -0.170547D+01  0.347912D+01 -0.320724D+01 -0.370475D+01
                46            47            48            49            50 
      1   0.169130D+01 -0.567110D+01  0.421734D+01 -0.215462D+01 -0.321588D+00
      2  -0.882242D+00  0.201227D+01  0.125767D+02  0.116631D+01 -0.113945D+01
      3  -0.199314D+01 -0.116809D+02 -0.350499D+00 -0.155466D+01  0.629494D+01
                51            52            53            54            55 
      1  -0.295928D+01 -0.907766D+00 -0.437449D+01  0.203910D+01  0.254810D-01
      2  -0.363984D+01  0.403413D+01  0.512354D+00 -0.617037D+01 -0.165314D+01
      3   0.116686D+01  0.201753D+01  0.411882D+01  0.177405D+00 -0.162195D+01
                56            57            58            59            60 
      1   0.103711D+01  0.724759D+00  0.171057D+01 -0.209921D-01 -0.634929D+00
      2   0.286188D+00 -0.121174D+00 -0.228069D+00 -0.508055D+00  0.105720D+00
      3  -0.102006D+01 -0.884889D+00  0.361356D+00  0.955906D+00  0.448324D+00
                61            62            63            64            65 
      1   0.923332D+00 -0.275033D+01  0.149558D+02 -0.162882D+01 -0.570585D+01
      2  -0.343827D+01  0.289127D+01 -0.940742D+01  0.215708D+01  0.247881D+01
      3  -0.269101D+01  0.297780D+01 -0.225608D+01  0.439087D+01  0.175430D+00
                66            67            68            69            70 
      1  -0.153590D+01 -0.281157D+01 -0.433981D+01 -0.269022D+01 -0.141426D+01
      2   0.229172D+01  0.192734D+01  0.325833D+01  0.144554D+01  0.260671D+00
      3   0.671294D+00  0.439723D+01  0.432014D-01 -0.508293D+00  0.172039D+01
                71            72            73            74            75 
      1  -0.208458D+01 -0.621866D+00 -0.607724D+00 -0.116302D+01  0.467207D+01
      2   0.173190D+01  0.233529D+00  0.737806D+00  0.777365D-01 -0.932102D+00
      3  -0.108608D+00 -0.106151D+00 -0.346252D+00 -0.162603D+01 -0.175854D+01
                76            77            78            79            80 
      1  -0.146032D+01  0.286995D+00  0.541692D+00  0.135600D+01 -0.535352D+00
      2  -0.529533D+00 -0.627823D-02 -0.190091D-01 -0.395578D+01  0.609975D+00
      3   0.405648D+00 -0.172563D-01 -0.247671D-01 -0.260476D+01  0.361689D+00
                81            82            83            84            85 
      1   0.123581D+02  0.195919D+00  0.127273D+00 -0.457813D+00 -0.135525D+01
      2   0.470121D+00 -0.106753D+01  0.133053D+00  0.164417D+01  0.124075D+01
      3  -0.249021D+01  0.174671D+00 -0.582944D+00  0.916669D+00  0.524566D+01
                86            87            88            89            90 
      1  -0.116961D+02 -0.363628D+01 -0.550092D+00 -0.336615D+01 -0.156802D+01
      2   0.286144D+00 -0.620321D+00 -0.148997D+00  0.603836D-01 -0.438823D+00
      3   0.263671D+01  0.540351D-03  0.202952D+01  0.986732D+00  0.994672D-01
                91            92            93            94            95 
      1  -0.430982D+00 -0.154974D+01 -0.689045D+00 -0.560316D+00  0.717238D-01
      2   0.316494D+00  0.423747D+00  0.411710D+01  0.444997D+00 -0.104023D+01
      3   0.167620D+00 -0.243770D+01 -0.717595D+00  0.418276D+00  0.229642D-01
                96            97            98            99           100 
      1  -0.174877D+00  0.280306D+00  0.273359D+01 -0.116075D-01  0.470013D+01
      2   0.146387D+01  0.336356D+00  0.960017D+00 -0.558103D+01  0.107104D+00
      3   0.167054D+01 -0.862351D+00  0.271068D+01 -0.253896D+00 -0.918263D+01
               101           102           103           104           105 
      1  -0.461368D+01 -0.226213D+01 -0.682746D+01 -0.675897D+01 -0.498307D+01
      2   0.332058D+00  0.140292D+02  0.232912D+00  0.291695D+01  0.222793D+01
      3   0.692087D+01 -0.421754D+01  0.141810D+02  0.104329D+02  0.213626D+01
               106           107           108           109           110 
      1  -0.159824D+01  0.551090D+00  0.360853D+01 -0.357763D-01 -0.604067D+00
      2   0.796434D+01  0.205113D+01 -0.717044D+01 -0.986789D+00 -0.113884D+01
      3  -0.395140D+01  0.480272D+00 -0.425813D+00  0.188657D+01  0.341341D+00
               111           112           113           114           115 
      1  -0.837511D+00 -0.325515D+00 -0.134406D+01 -0.330623D+01  0.887597D-02
      2  -0.193402D+00 -0.132189D+01 -0.161687D+01 -0.197415D+01 -0.306451D+01
      3   0.158046D+01  0.200523D+01  0.800561D+00  0.216390D+01  0.282409D+01
               116           117           118           119           120 
      1  -0.714082D+00 -0.102133D+02  0.289628D+01 -0.208222D+01  0.252186D+01
      2  -0.293305D+01 -0.605800D+01  0.320633D+01 -0.223886D+01  0.309459D+01
      3   0.289066D+01  0.244222D+01 -0.577445D+01 -0.715836D+00 -0.138378D+01
               121           122           123           124           125 
      1  -0.226197D+01  0.291362D+01 -0.371750D+01  0.176537D+01 -0.172662D+01
      2  -0.148110D+01  0.232850D+01 -0.220450D+01  0.937112D+00 -0.235105D+01
      3   0.327953D+01 -0.109971D+00 -0.177198D-01 -0.300546D+01 -0.915048D+00
               126           127           128           129           130 
      1   0.240635D+01 -0.232849D+01 -0.167403D+01  0.251522D+01 -0.413161D+00
      2   0.188018D+01  0.727058D+01  0.571284D+00 -0.689343D+01  0.945183D+00
      3  -0.957899D-02 -0.935621D+00 -0.474256D+00  0.146441D+01  0.623288D+00
               131           132           133           134           135 
      1  -0.588981D+00  0.528628D+00  0.219528D+01  0.320533D+01 -0.490898D+01
      2   0.202502D+01 -0.856918D+00 -0.869846D+01 -0.434674D+00  0.139615D+02
      3  -0.768358D+00 -0.166305D+01  0.120532D+01 -0.126489D+01 -0.132178D+01
               136           137           138           139           140 
      1  -0.405834D+01  0.325301D+01 -0.697697D+00  0.283660D+01 -0.230146D+01
      2  -0.256043D+01  0.112886D+01  0.333755D+01  0.128303D+01 -0.731113D+00
      3   0.926893D+01 -0.862718D+01  0.238336D+01 -0.598012D+01  0.582533D+01
               141           142           143           144           145 
      1   0.180068D+00 -0.126625D+01  0.170766D+01 -0.132059D+01  0.725796D+00
      2  -0.290285D+01 -0.492952D+00 -0.115547D+01  0.174007D+01 -0.320696D+00
      3  -0.164751D+01  0.224532D+01 -0.113234D+01  0.240422D+01 -0.102930D+01
               146           147           148           149           150 
      1   0.233119D+01 -0.475044D+00  0.229035D+01  0.769030D+01 -0.334159D+01
      2  -0.977737D+00  0.604809D+00 -0.907491D+00 -0.608518D+00  0.340031D+01
      3  -0.449790D+01  0.127619D+00 -0.229367D+01 -0.165283D+02 -0.123335D+01
               151           152           153 
      1   0.191854D+00  0.405298D-01  0.713447D+00
      2  -0.810398D+00  0.192728D+01  0.327333D+00
      3  -0.218494D+00  0.112737D+00 -0.212560D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.145912D+00  0.296427D+01  0.424462D+00 -0.323241D+01 -0.503431D+01
      2  -0.526970D+01 -0.161487D+02  0.517194D+00 -0.731442D+01  0.577484D+00
      3   0.512379D+01  0.131844D+02 -0.941655D+00  0.105468D+02  0.445683D+01
      4  -0.621541D+01 -0.147590D+02 -0.392697D+01 -0.733953D+01 -0.145181D+02
      5  -0.520022D+00 -0.228808D+01  0.421716D+00 -0.170347D+01 -0.183246D+01
      6  -0.435872D+01 -0.585359D+00  0.283506D+01 -0.203572D+01 -0.396264D+01
                 6             7             8             9            10 
      1   0.198097D+01  0.466234D+01 -0.464075D+01  0.111644D+02 -0.390549D+02
      2  -0.366567D+01 -0.291808D+01 -0.528043D+01  0.397294D+01  0.200576D+02
      3   0.168470D+01 -0.174426D+01  0.992117D+01 -0.151373D+02  0.189972D+02
      4  -0.179105D+01 -0.789685D+01 -0.968910D+00 -0.334886D+01  0.166849D+02
      5  -0.134137D+01 -0.319575D+00 -0.125071D+01  0.428735D+01  0.880007D+01
      6   0.325092D+01  0.376503D+01 -0.384494D+01  0.162957D+02 -0.427312D+01
                11            12            13            14            15 
      1   0.619613D+01  0.101856D+01  0.143288D+02  0.830208D+00 -0.498615D+01
      2   0.189735D+01 -0.536547D+01 -0.908214D+01 -0.316538D+01  0.167579D+01
      3  -0.809348D+01  0.434692D+01 -0.524661D+01  0.233518D+01  0.331035D+01
      4  -0.106894D+02 -0.248209D+01 -0.286844D+01  0.218434D+01  0.134767D+01
      5  -0.194141D+01 -0.104526D+02 -0.192116D+01  0.196637D+01  0.457581D+01
      6   0.638249D+01  0.349097D+01  0.215005D+01  0.925378D+00 -0.434111D+01
                16            17            18            19            20 
      1   0.969650D+01 -0.481085D+01 -0.687470D+01 -0.285050D+01 -0.314463D+01
      2  -0.496879D+01  0.288946D+01 -0.728935D+00  0.415044D+01  0.154898D+01
      3  -0.472771D+01  0.192139D+01  0.760363D+01 -0.129994D+01  0.159566D+01
      4  -0.172474D+01  0.552846D+01  0.308245D+01 -0.312617D+00  0.252549D+01
      5   0.119209D+01  0.125293D+01  0.731529D+01 -0.380565D+01 -0.955833D+00
      6   0.155550D+01 -0.261114D+00  0.520478D+00 -0.387260D+01 -0.279052D+01
                21            22            23            24            25 
      1   0.620443D+01  0.440242D+01  0.752677D+01  0.298692D+01  0.165311D+00
      2   0.337835D+01 -0.372893D+01 -0.199587D+02 -0.295299D+01  0.206592D+01
      3  -0.958277D+01 -0.673485D+00  0.124319D+02 -0.339317D-01 -0.223123D+01
      4  -0.299407D+00  0.153575D-01  0.248897D+01 -0.308291D-01 -0.742171D+00
      5   0.373958D+00 -0.137535D+01  0.407592D+00  0.323120D+01  0.236013D+01
      6   0.588921D+01  0.968894D+00 -0.339352D+01  0.331039D+01  0.136421D+01
                26            27            28            29            30 
      1   0.171774D+01  0.185115D+02  0.783024D+00 -0.409602D+01  0.525509D+01
      2  -0.869108D+01  0.492313D+01  0.305425D+01  0.172949D+01 -0.508628D+01
      3   0.697334D+01 -0.234346D+02 -0.383728D+01  0.236652D+01 -0.168810D+00
      4  -0.162581D+01  0.325756D+01 -0.360441D+01  0.222843D+01 -0.163498D+01
      5   0.259903D+01 -0.107410D+02  0.126056D+02  0.112220D+01 -0.180547D+02
      6   0.553739D+00  0.117667D+02  0.280734D+01 -0.145067D+01 -0.443972D+01
                31            32            33            34            35 
      1  -0.683631D+01  0.721544D+01 -0.328935D+01  0.219992D+01 -0.349187D+01
      2   0.460679D+01 -0.412857D+01  0.180474D+01 -0.521518D+01  0.914770D+00
      3   0.222952D+01 -0.308687D+01  0.148461D+01  0.301527D+01  0.257710D+01
      4   0.408633D+01  0.789798D+01  0.349178D+00 -0.436163D+01 -0.229835D+01
      5  -0.445372D+00  0.909104D+00 -0.572369D+01 -0.213471D+02 -0.712313D+01
      6   0.218741D+00 -0.119710D+01 -0.186504D+01 -0.495654D+01 -0.611861D+00
                36            37            38            39            40 
      1  -0.158607D+02 -0.291892D+01  0.138038D+01 -0.147787D+00  0.246635D+01
      2   0.130612D+02 -0.418104D+01  0.965035D+01 -0.162258D+01  0.771718D+01
      3   0.279954D+01  0.709997D+01 -0.110307D+02  0.177036D+01 -0.101835D+02
      4  -0.878000D+01  0.437438D+01 -0.126077D+02  0.811863D+01 -0.108762D+02
      5   0.107901D+02 -0.628913D+01  0.319943D+01  0.166434D+01  0.103508D+01
      6   0.170866D+01  0.578540D+01 -0.438376D+01 -0.317573D+01 -0.358811D+01
                41            42            43            44            45 
      1  -0.534958D+01  0.596938D+01 -0.117993D+01  0.965986D+01  0.144793D+02
      2   0.653072D+01  0.198521D+01 -0.216402D+01  0.234071D+01 -0.552502D+01
      3  -0.118114D+01 -0.795458D+01  0.334394D+01 -0.120006D+02 -0.895427D+01
      4   0.626435D+01 -0.284951D+01  0.120587D+02 -0.267111D+01  0.656542D+01
      5  -0.233402D+01  0.200425D+01  0.237639D+01  0.408354D+01  0.223456D+01
      6   0.190802D+01 -0.971174D+01 -0.953659D+00 -0.118957D+02 -0.200844D+02
                46            47            48            49            50 
      1   0.842386D+02 -0.125634D+02 -0.606611D+01 -0.131202D+02  0.965755D+01
      2  -0.443765D+02  0.336386D+01  0.593016D+01  0.406926D+01  0.624404D+00
      3  -0.398621D+02  0.919950D+01  0.135948D+00  0.905097D+01 -0.102820D+02
      4  -0.250306D+02  0.221408D+02  0.427869D+01  0.245101D+02 -0.154917D+02
      5  -0.112958D+02  0.313339D+01  0.213895D+02  0.363900D+01 -0.410667D+01
      6   0.742908D+01 -0.418282D+01 -0.545524D+01 -0.429299D+01  0.413508D+01
                51            52            53            54            55 
      1   0.154199D+01 -0.761576D+01  0.199963D+01  0.105155D+02 -0.244944D+01
      2  -0.797582D+00  0.650125D+01 -0.300199D+00 -0.110171D+02 -0.623240D+00
      3  -0.744410D+00  0.111450D+01 -0.169943D+01  0.501566D+00  0.307268D+01
      4  -0.518539D+01  0.505069D+01 -0.509796D+01 -0.737553D+01  0.261166D+00
      5  -0.630785D+01  0.232080D+02 -0.676347D+01 -0.120732D+02 -0.266524D+00
      6   0.746901D+01 -0.579215D+01  0.795274D+01  0.388013D+01 -0.281573D+01
                56            57            58            59            60 
      1   0.669343D+00 -0.156571D+01 -0.138707D+00 -0.468967D+01  0.356966D+01
      2   0.765951D+00  0.522701D+00  0.846401D+00  0.336701D+01 -0.385717D+01
      3  -0.143529D+01  0.104301D+01 -0.707695D+00  0.132267D+01  0.287503D+00
      4   0.458852D+01 -0.230927D+01  0.231104D+01  0.253666D+01 -0.103957D+01
      5  -0.102717D+01  0.505242D+01  0.318944D+00 -0.556130D+00 -0.159489D+00
      6  -0.939706D-01 -0.176172D+01 -0.143130D+00 -0.475285D+01  0.701289D+01
                61            62            63            64            65 
      1  -0.327046D+01  0.901864D+01 -0.197915D+02  0.806465D+01 -0.902822D-01
      2   0.148878D+01 -0.312513D+01 -0.874610D+01  0.476903D+01  0.124203D+02
      3   0.178167D+01 -0.589351D+01  0.285376D+02 -0.128337D+02 -0.123300D+02
      4  -0.247973D+01 -0.284144D+01  0.453146D+01  0.209599D+02  0.232023D+02
      5   0.487635D+01  0.202758D+01 -0.775106D+01  0.127083D+01  0.777677D+00
      6  -0.279984D+00  0.119110D+02 -0.245430D+02  0.132176D+01  0.536209D+00
                66            67            68            69            70 
      1   0.564614D+00 -0.599428D+00 -0.911310D+01 -0.111791D+00  0.821082D+00
      2   0.133612D+00  0.106956D+02  0.263065D+02  0.185754D+01  0.830321D+00
      3  -0.698227D+00 -0.100962D+02 -0.171934D+02 -0.174575D+01 -0.165140D+01
      4   0.133682D+01  0.169364D+02  0.242283D+02  0.171831D+01  0.476357D+01
      5   0.391401D+01  0.768255D+00  0.234488D+01  0.231830D+01  0.367422D+01
      6   0.302995D+01  0.435403D+00  0.139824D+01  0.510929D+01  0.339347D+01
                71            72            73            74            75 
      1  -0.392794D+00 -0.290848D+01  0.144050D+00  0.232926D+01 -0.404362D+01
      2   0.475172D+01  0.264154D+01 -0.430735D+01 -0.488206D+00 -0.318698D+01
      3  -0.435892D+01  0.266949D+00  0.416330D+01 -0.184105D+01  0.723060D+01
      4   0.443689D+01  0.550197D+01 -0.171467D+01  0.295192D+01 -0.391837D+01
      5   0.421367D+01  0.163343D+01  0.524650D+01 -0.221370D+01  0.960679D+01
      6   0.736476D+01  0.535327D+00 -0.280398D+01  0.300430D+01 -0.524311D+01
                76            77            78            79            80 
      1   0.469986D+00 -0.632776D+01  0.253615D+01 -0.161602D+01  0.658247D+01
      2   0.274255D+00  0.357495D+01 -0.350428D+01 -0.268514D+01 -0.484176D+00
      3  -0.744241D+00  0.275282D+01  0.968131D+00  0.430116D+01 -0.609829D+01
      4   0.121220D+01 -0.653009D+00  0.140070D+01 -0.389784D+01  0.194126D+01
      5   0.254054D+00  0.162774D+01 -0.257429D+00  0.659690D+01 -0.219682D+01
      6   0.156333D+01 -0.390361D+01  0.712075D+01 -0.290238D+01  0.986802D+01
                81            82            83            84            85 
      1  -0.265050D+02 -0.233675D+00  0.437032D+00 -0.105105D+01 -0.122003D+01
      2  -0.141191D+02  0.361617D+01 -0.100483D+01  0.462074D+00  0.120725D+01
      3   0.406241D+02 -0.338249D+01  0.567796D+00  0.588977D+00  0.127771D-01
      4  -0.322430D+01 -0.234957D+00  0.815565D+01  0.638051D+00  0.650109D+01
      5   0.116616D+02 -0.647989D+00 -0.110630D+01  0.181005D+01 -0.367472D+00
      6  -0.206566D+02  0.661093D+00  0.376164D+00 -0.329278D+00  0.379644D+00
                86            87            88            89            90 
      1  -0.244178D+02  0.411395D+00 -0.447973D+00 -0.326518D+01 -0.566872D+01
      2   0.436362D+02  0.208611D+01  0.129562D+00  0.826079D+01  0.395644D+01
      3  -0.192185D+02 -0.249751D+01  0.318411D+00 -0.499561D+01  0.171228D+01
      4  -0.161111D+01  0.119754D-01  0.225996D+01 -0.111232D+01 -0.334388D+00
      5   0.181231D+00 -0.496554D+00  0.839383D+00 -0.229949D+00  0.725383D+00
      6  -0.380380D+01  0.612605D+01  0.115084D+00  0.659991D+01  0.637094D+00
                91            92            93            94            95 
      1   0.173580D+02  0.242141D+01 -0.833056D+01  0.226960D+01  0.305613D+00
      2  -0.152706D+02 -0.195741D+01  0.100887D+02 -0.139369D+01 -0.263082D+00
      3  -0.208741D+01 -0.463999D+00 -0.175811D+01 -0.875904D+00 -0.425302D-01
      4   0.525300D+01  0.503000D+01 -0.213876D+01  0.583764D+01  0.141813D+01
      5  -0.211107D+02 -0.234119D+01  0.203978D+02 -0.210616D+01 -0.598646D+01
      6  -0.296571D+01 -0.243812D+01  0.338667D+01 -0.302114D+01 -0.213219D+01
                96            97            98            99           100 
      1   0.935482D-01 -0.664729D+01 -0.831717D-03  0.239350D+01 -0.190406D+02
      2   0.216065D+00  0.115900D+02  0.123160D+01 -0.159514D+02  0.123717D+02
      3  -0.309613D+00 -0.494270D+01 -0.123077D+01  0.135579D+02  0.666885D+01
      4  -0.442721D+01 -0.241006D+01 -0.344862D+01  0.327782D+01  0.110070D+02
      5   0.340347D+01  0.214737D+02  0.367670D+01 -0.269818D+02 -0.113597D+02
      6   0.583133D+01  0.308648D+01  0.495070D+01 -0.534521D+01  0.324445D+01
               101           102           103           104           105 
      1   0.157213D+02 -0.164013D+02  0.207176D+02 -0.105526D+02  0.461902D+01
      2  -0.144623D+02  0.323489D+00 -0.190095D+02 -0.958843D+01 -0.576202D+01
      3  -0.125897D+01  0.160779D+02 -0.170809D+01  0.201410D+02  0.114300D+01
      4  -0.117343D+02  0.278620D+01 -0.168371D+02 -0.267995D+02 -0.188885D+01
      5   0.705403D+01  0.769804D+01  0.891010D+01 -0.435829D+01  0.582902D+01
      6  -0.350984D+01  0.606451D+01 -0.496370D+01 -0.559056D+01  0.222494D+01
               106           107           108           109           110 
      1  -0.130638D+02  0.442825D+01  0.189062D+02 -0.177666D+01 -0.275744D+01
      2   0.665663D+00 -0.397891D+01 -0.443381D+01  0.453326D+00  0.969330D+00
      3   0.123981D+02 -0.449339D+00 -0.144724D+02  0.132333D+01  0.178811D+01
      4   0.427418D+01  0.177504D+01  0.104947D+02 -0.386233D+00  0.500034D+01
      5   0.963650D+01  0.642878D+01  0.283021D+01  0.327652D+00  0.183777D+01
      6   0.662431D+01  0.164496D+01  0.171450D+00  0.396907D+01  0.229689D+01
               111           112           113           114           115 
      1  -0.284950D+01 -0.637100D+00 -0.982016D+01 -0.916556D+01 -0.197491D+01
      2   0.126785D+01 -0.592620D+00  0.861046D+01  0.625624D+01  0.122181D+01
      3   0.158165D+01  0.122972D+01  0.120971D+01  0.290932D+01  0.753095D+00
      4   0.279690D+01  0.420138D+01 -0.356953D+01 -0.238845D+01  0.312187D+01
      5   0.489919D+01  0.112290D+01 -0.197491D+01 -0.203287D+01  0.443675D+01
      6   0.321860D+01  0.519903D+00  0.127422D+02  0.146002D+02 -0.456521D+00
               116           117           118           119           120 
      1  -0.128814D+02 -0.214838D+02  0.104195D+02 -0.156371D+01  0.188410D+01
      2   0.636098D+01 -0.152952D+01  0.314361D+01 -0.944101D+01  0.832336D+00
      3   0.652041D+01  0.230133D+02 -0.135632D+02  0.110047D+02 -0.271644D+01
      4  -0.416175D+01 -0.528035D+01 -0.213164D+02  0.194060D+02 -0.526693D+01
      5  -0.397532D+01 -0.727114D+01  0.360945D+01 -0.189263D+01  0.434859D+01
      6   0.186028D+02  0.299633D+02 -0.361471D+01  0.192686D+01 -0.363895D+01
               121           122           123           124           125 
      1  -0.860428D+00 -0.439676D+01  0.237011D+00  0.219263D+01  0.809507D+00
      2  -0.902419D+01  0.181208D+02 -0.375654D+01  0.139985D+01 -0.644859D+01
      3   0.988462D+01 -0.137241D+02  0.351953D+01 -0.359247D+01  0.563908D+01
      4   0.165707D+02 -0.199409D+02  0.414839D+01 -0.819281D+01  0.760036D+01
      5  -0.165256D+01  0.238700D+01 -0.264210D+01  0.501385D+01 -0.414497D+01
      6   0.176058D+01 -0.378146D+01  0.608368D+01 -0.415627D+01  0.750108D+01
               126           127           128           129           130 
      1  -0.180115D+01 -0.577385D+01 -0.121429D+01  0.110815D+02 -0.264509D+01
      2   0.267740D+01 -0.698881D+00  0.819369D+00  0.139490D+01  0.201913D+01
      3  -0.876245D+00  0.647273D+01  0.394916D+00 -0.124764D+02  0.625960D+00
      4  -0.640611D+01 -0.404639D+01  0.256818D+00  0.123603D+01  0.217915D+01
      5   0.379000D+01 -0.195099D+01 -0.137179D+01 -0.216278D+01 -0.123103D+01
      6  -0.316250D+01  0.913334D+00 -0.241366D+01 -0.394157D+01 -0.919503D+00
               131           132           133           134           135 
      1  -0.242513D+01 -0.590211D+00  0.106832D+02 -0.863862D+00 -0.205911D+02
      2   0.147139D+01  0.222385D+01 -0.736559D+00  0.135638D+01 -0.889537D+01
      3   0.953748D+00 -0.163364D+01 -0.994668D+01 -0.492521D+00  0.294865D+02
      4   0.225838D+01  0.215433D+01  0.243199D+01  0.250079D+01 -0.291472D+01
      5   0.164830D+01 -0.163256D+01  0.265196D+01  0.110631D+00  0.111736D+02
      6   0.112515D+01  0.412994D+01 -0.158713D+01  0.465357D+01  0.663774D+01
               136           137           138           139           140 
      1   0.508093D+02 -0.134482D+02  0.100301D+02 -0.210016D+02  0.106571D+02
      2  -0.297519D+02  0.867780D+01 -0.801022D+01  0.126277D+02 -0.373199D+01
      3  -0.210575D+02  0.477035D+01 -0.201991D+01  0.837395D+01 -0.692513D+01
      4  -0.850339D+01  0.114437D+02 -0.157650D+01  0.125539D+02 -0.826623D+01
      5   0.199987D+02 -0.511789D+01  0.118540D+02 -0.935640D+01  0.501417D+01
      6  -0.338137D+01  0.406100D+01 -0.117254D+01  0.431701D+01 -0.335078D+01
               141           142           143           144           145 
      1  -0.383958D+01  0.688289D+01 -0.170925D+01  0.461038D+01  0.975910D+01
      2   0.429681D+01 -0.630972D+01  0.245928D+01 -0.620400D+01 -0.948877D+00
      3  -0.457229D+00 -0.573165D+00 -0.750032D+00  0.159362D+01 -0.881022D+01
      4   0.280004D+01 -0.160643D+01  0.899254D+00 -0.360901D+01  0.118017D+02
      5  -0.738008D+01  0.112863D+02 -0.485688D+01  0.657029D+01  0.387787D+01
      6   0.180279D+01 -0.164566D+01  0.191389D+01 -0.834298D+00  0.195442D+01
               146           147           148           149           150 
      1   0.539478D+01  0.197968D+01  0.631867D+01 -0.293299D+01 -0.110979D+01
      2   0.234164D+01 -0.573257D+00  0.471792D+01  0.257504D+02  0.186662D+00
      3  -0.773642D+01 -0.140643D+01 -0.110366D+02 -0.228174D+02  0.923128D+00
      4   0.161609D+02  0.108153D+01  0.217238D+02  0.405500D+02  0.416045D+01
      5   0.185107D+01  0.256605D+01  0.411064D+01  0.466254D+01  0.661194D+01
      6   0.326482D+01  0.124288D+01  0.514092D+01  0.123540D+02  0.717214D+01
               151           152           153 
      1  -0.481250D+00 -0.130571D+01 -0.264643D+01
      2   0.110888D+00 -0.140356D+01  0.236680D+01
      3   0.370362D+00  0.270927D+01  0.279636D+00
      4  -0.648733D+00 -0.455784D+00  0.456192D+01
      5   0.276187D+01  0.512538D+01  0.296753D+00
      6   0.180320D+01  0.639714D+01  0.122911D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x         -0.116024D+01     -0.294904D+01     -0.983692D+01
   y          0.383638D+00      0.975111D+00      0.325262D+01
   z          0.311602D+00      0.792012D+00      0.264187D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.765775D+02      0.113476D+02      0.126259D+02
   yx        -0.664074D+00     -0.984056D-01     -0.109491D+00
   yy         0.704327D+02      0.104370D+02      0.116128D+02
   zx        -0.124348D+01     -0.184264D+00     -0.205021D+00
   zy        -0.139431D+01     -0.206616D+00     -0.229891D+00
   zz         0.623399D+02      0.923782D+01      0.102785D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.731149D+02      0.108345D+02      0.120550D+02
   aniso      0.138797D+02      0.205675D+01      0.228845D+01
   xx         0.807178D+02      0.119611D+02      0.133086D+02
   yx        -0.102300D+01     -0.151593D+00     -0.168670D+00
   yy         0.733007D+02      0.108620D+02      0.120856D+02
   zx        -0.150980D+01     -0.223730D+00     -0.248933D+00
   zy        -0.128042D+01     -0.189739D+00     -0.211113D+00
   zz         0.653264D+02      0.968037D+01      0.107709D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.31375307          2.60011328         -0.55786525
     6          0.60291535          0.24505832         -2.19928680
     6          0.89397356         -2.03950270         -0.46714025
     6          0.05208436         -1.12652576          2.15491560
     6          0.82036366          1.69637880          2.14618885
     8          0.60033342          0.20261504         -4.47391883
     1         -1.62013454          3.28736603         -0.79843978
     1          1.56308325          4.09663253         -1.22138169
     1          2.90278114         -2.53951272         -0.47007963
     1         -0.14079087         -3.66115645         -1.20271020
     1          1.05302224         -2.13589284          3.64883537
     6         -2.78794957         -1.47654919          2.54787070
     1          2.83324433          1.86408015          2.57383780
     1         -0.20129685          2.78170848          3.56836369
     1         -3.88189063         -0.51277984          1.08460476
     1         -3.38049557         -0.72163501          4.37396586
     1         -3.30102047         -3.47356550          2.48626813

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.126112D+01      0.320545D+01      0.106922D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.628105D+02      0.930756D+01      0.103561D+02
   yx         0.124941D+01      0.185143D+00      0.205999D+00
   yy         0.706724D+02      0.104726D+02      0.116523D+02
   zx        -0.309753D+01     -0.459006D+00     -0.510713D+00
   zy        -0.747027D+00     -0.110698D+00     -0.123168D+00
   zz         0.758671D+02      0.112423D+02      0.125088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.731149D+02      0.108345D+02      0.120550D+02
   aniso      0.138797D+02      0.205675D+01      0.228845D+01
   xx         0.657480D+02      0.974285D+01      0.108404D+02
   yx         0.124341D+01      0.184254D+00      0.205010D+00
   yy         0.734386D+02      0.108825D+02      0.121084D+02
   zx        -0.316515D+01     -0.469026D+00     -0.521862D+00
   zy        -0.811191D+00     -0.120206D+00     -0.133747D+00
   zz         0.801583D+02      0.118782D+02      0.132163D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-09\Freq\RM11\Gen\C6H10O1\PIERPA\23-Jul-2021\0\\#P M11
 /Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Re
 ad Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.633721,1.221277,
 -0.338752\C,1.202323,-0.162379,-0.03348\C,0.137211,-0.968205,0.702463\
 C,-1.17404,-0.198817,0.488459\C,-0.703929,1.273985,0.406927\O,2.304239
 ,-0.549644,-0.325314\H,0.503664,1.289578,-1.422345\H,1.346883,1.995992
 ,-0.058182\H,0.420796,-0.975077,1.760549\H,0.126808,-2.003965,0.363566
 \H,-1.851041,-0.333959,1.333578\C,-1.889774,-0.644315,-0.786475\H,-0.5
 49986,1.66403,1.415809\H,-1.441119,1.913307,-0.079228\H,-1.248924,-0.5
 37622,-1.665524\H,-2.789893,-0.050884,-0.957715\H,-2.184175,-1.69352,-
 0.722841\\Version=ES64L-G16RevA.03\State=1-A\HF=-310.0341284\RMSD=7.10
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 ...THE PHYSICISTS HAVE MADE THEIR UNIVERSE, AND IF YOU DO NOT LIKE
 IT, YOU MUST MAKE YOUR OWN.
                               -- E. R. HARRISON IN "COSMOLOGY" (1980)
 Job cpu time:       0 days  2 hours 16 minutes 43.1 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 34.5 seconds.
 File lengths (MBytes):  RWF=    208 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 14:32:51 2021.
